----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:37:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.152855880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.659436410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.535515410000000 Atomic positions (fractional): *1 F 0.40578465888548 0.25000000000000 0.81010679781110 18.998 2 F 0.59421534111452 0.75000000000000 0.18989320218889 18.998 3 F 0.90578465888548 0.25000000000000 0.68989320218890 18.998 4 F 0.09421534111452 0.75000000000000 0.31010679781111 18.998 *5 F 0.10479594102296 0.75000000000000 0.86844536143550 18.998 6 F 0.89520405897704 0.25000000000000 0.13155463856450 18.998 7 F 0.60479594102296 0.75000000000000 0.63155463856450 18.998 8 F 0.39520405897704 0.25000000000000 0.36844536143550 18.998 *9 F 0.13486090540083 0.75000000000000 0.03628847735921 18.998 10 F 0.86513909459917 0.25000000000000 0.96371152264079 18.998 11 F 0.63486090540083 0.75000000000000 0.46371152264079 18.998 12 F 0.36513909459917 0.25000000000000 0.53628847735921 18.998 *13 F 0.99633907005290 0.25000000000000 0.44278220371799 18.998 14 F 0.00366092994710 0.75000000000000 0.55721779628200 18.998 15 F 0.49633907005290 0.25000000000000 0.05721779628200 18.998 16 F 0.50366092994710 0.75000000000000 0.94278220371800 18.998 *17 K 0.22164013163015 0.75000000000000 0.70250427966430 39.098 18 K 0.77835986836985 0.25000000000000 0.29749572033570 39.098 19 K 0.72164013163015 0.75000000000000 0.79749572033570 39.098 20 K 0.27835986836985 0.25000000000000 0.20250427966430 39.098 *21 Sm 0.24822730329474 0.25000000000000 0.94113111585429 150.360 22 Sm 0.75177269670526 0.75000000000000 0.05886888414570 150.360 23 Sm 0.74822730329474 0.25000000000000 0.55886888414571 150.360 24 Sm 0.25177269670526 0.75000000000000 0.44113111585429 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.152855880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.659436410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.535515410000000 Atomic positions (fractional): *1 F 0.40578465888548 0.25000000000000 0.81010679781110 18.998 > 1 2 F 0.59421534111452 0.75000000000000 0.18989320218889 18.998 > 2 3 F 0.90578465888548 0.25000000000000 0.68989320218890 18.998 > 3 4 F 0.09421534111452 0.75000000000000 0.31010679781111 18.998 > 4 *5 F 0.10479594102296 0.75000000000000 0.86844536143550 18.998 > 5 6 F 0.89520405897704 0.25000000000000 0.13155463856450 18.998 > 6 7 F 0.60479594102296 0.75000000000000 0.63155463856450 18.998 > 7 8 F 0.39520405897704 0.25000000000000 0.36844536143550 18.998 > 8 *9 F 0.13486090540083 0.75000000000000 0.03628847735921 18.998 > 9 10 F 0.86513909459917 0.25000000000000 0.96371152264079 18.998 > 10 11 F 0.63486090540083 0.75000000000000 0.46371152264079 18.998 > 11 12 F 0.36513909459917 0.25000000000000 0.53628847735921 18.998 > 12 *13 F 0.99633907005290 0.25000000000000 0.44278220371799 18.998 > 13 14 F 0.00366092994710 0.75000000000000 0.55721779628200 18.998 > 14 15 F 0.49633907005290 0.25000000000000 0.05721779628200 18.998 > 15 16 F 0.50366092994710 0.75000000000000 0.94278220371800 18.998 > 16 *17 K 0.22164013163015 0.75000000000000 0.70250427966430 39.098 > 17 18 K 0.77835986836985 0.25000000000000 0.29749572033570 39.098 > 18 19 K 0.72164013163015 0.75000000000000 0.79749572033570 39.098 > 19 20 K 0.27835986836985 0.25000000000000 0.20250427966430 39.098 > 20 *21 Sm 0.24822730329474 0.25000000000000 0.94113111585429 150.360 > 21 22 Sm 0.75177269670526 0.75000000000000 0.05886888414570 150.360 > 22 23 Sm 0.74822730329474 0.25000000000000 0.55886888414571 150.360 > 23 24 Sm 0.25177269670526 0.75000000000000 0.44113111585429 150.360 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.305711759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.978309230000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.535515410000000 Atomic positions (fractional): *1 F 0.20289232944274 0.08333333333333 0.81010679781110 18.998 > 1 2 F 0.70289232944274 0.08333333333333 0.81010679781110 18.998 > 1 3 F 0.20289232944274 0.41666666666667 0.81010679781110 18.998 > 1 4 F 0.70289232944274 0.41666666666667 0.81010679781110 18.998 > 1 5 F 0.20289232944274 0.75000000000000 0.81010679781110 18.998 > 1 6 F 0.70289232944274 0.75000000000000 0.81010679781110 18.998 > 1 7 F 0.29710767055726 0.25000000000000 0.18989320218889 18.998 > 2 8 F 0.79710767055726 0.25000000000000 0.18989320218889 18.998 > 2 9 F 0.29710767055726 0.58333333333333 0.18989320218889 18.998 > 2 10 F 0.79710767055726 0.58333333333333 0.18989320218889 18.998 > 2 11 F 0.29710767055726 0.91666666666667 0.18989320218889 18.998 > 2 12 F 0.79710767055726 0.91666666666667 0.18989320218889 18.998 > 2 13 F 0.45289232944274 0.08333333333333 0.68989320218890 18.998 > 3 14 F 0.95289232944274 0.08333333333333 0.68989320218890 18.998 > 3 15 F 0.45289232944274 0.41666666666667 0.68989320218890 18.998 > 3 16 F 0.95289232944274 0.41666666666667 0.68989320218890 18.998 > 3 17 F 0.45289232944274 0.75000000000000 0.68989320218890 18.998 > 3 18 F 0.95289232944274 0.75000000000000 0.68989320218890 18.998 > 3 19 F 0.04710767055726 0.25000000000000 0.31010679781111 18.998 > 4 20 F 0.54710767055726 0.25000000000000 0.31010679781111 18.998 > 4 21 F 0.04710767055726 0.58333333333333 0.31010679781111 18.998 > 4 22 F 0.54710767055726 0.58333333333333 0.31010679781111 18.998 > 4 23 F 0.04710767055726 0.91666666666667 0.31010679781111 18.998 > 4 24 F 0.54710767055726 0.91666666666667 0.31010679781111 18.998 > 4 *25 F 0.05239797051148 0.25000000000000 0.86844536143550 18.998 > 5 26 F 0.55239797051148 0.25000000000000 0.86844536143550 18.998 > 5 27 F 0.05239797051148 0.58333333333333 0.86844536143550 18.998 > 5 28 F 0.55239797051148 0.58333333333333 0.86844536143550 18.998 > 5 29 F 0.05239797051148 0.91666666666667 0.86844536143550 18.998 > 5 30 F 0.55239797051148 0.91666666666667 0.86844536143550 18.998 > 5 31 F 0.44760202948852 0.08333333333333 0.13155463856450 18.998 > 6 32 F 0.94760202948852 0.08333333333333 0.13155463856450 18.998 > 6 33 F 0.44760202948852 0.41666666666667 0.13155463856450 18.998 > 6 34 F 0.94760202948852 0.41666666666667 0.13155463856450 18.998 > 6 35 F 0.44760202948852 0.75000000000000 0.13155463856450 18.998 > 6 36 F 0.94760202948852 0.75000000000000 0.13155463856450 18.998 > 6 37 F 0.30239797051148 0.25000000000000 0.63155463856450 18.998 > 7 38 F 0.80239797051148 0.25000000000000 0.63155463856450 18.998 > 7 39 F 0.30239797051148 0.58333333333333 0.63155463856450 18.998 > 7 40 F 0.80239797051148 0.58333333333333 0.63155463856450 18.998 > 7 41 F 0.30239797051148 0.91666666666667 0.63155463856450 18.998 > 7 42 F 0.80239797051148 0.91666666666667 0.63155463856450 18.998 > 7 43 F 0.19760202948852 0.08333333333333 0.36844536143550 18.998 > 8 44 F 0.69760202948852 0.08333333333333 0.36844536143550 18.998 > 8 45 F 0.19760202948852 0.41666666666667 0.36844536143550 18.998 > 8 46 F 0.69760202948852 0.41666666666667 0.36844536143550 18.998 > 8 47 F 0.19760202948852 0.75000000000000 0.36844536143550 18.998 > 8 48 F 0.69760202948852 0.75000000000000 0.36844536143550 18.998 > 8 *49 F 0.06743045270042 0.25000000000000 0.03628847735921 18.998 > 9 50 F 0.56743045270042 0.25000000000000 0.03628847735921 18.998 > 9 51 F 0.06743045270042 0.58333333333333 0.03628847735921 18.998 > 9 52 F 0.56743045270042 0.58333333333333 0.03628847735921 18.998 > 9 53 F 0.06743045270042 0.91666666666667 0.03628847735921 18.998 > 9 54 F 0.56743045270042 0.91666666666667 0.03628847735921 18.998 > 9 55 F 0.43256954729958 0.08333333333333 0.96371152264079 18.998 > 10 56 F 0.93256954729958 0.08333333333333 0.96371152264079 18.998 > 10 57 F 0.43256954729958 0.41666666666667 0.96371152264079 18.998 > 10 58 F 0.93256954729958 0.41666666666667 0.96371152264079 18.998 > 10 59 F 0.43256954729958 0.75000000000000 0.96371152264079 18.998 > 10 60 F 0.93256954729958 0.75000000000000 0.96371152264079 18.998 > 10 61 F 0.31743045270042 0.25000000000000 0.46371152264079 18.998 > 11 62 F 0.81743045270042 0.25000000000000 0.46371152264079 18.998 > 11 63 F 0.31743045270042 0.58333333333333 0.46371152264079 18.998 > 11 64 F 0.81743045270042 0.58333333333333 0.46371152264079 18.998 > 11 65 F 0.31743045270042 0.91666666666667 0.46371152264079 18.998 > 11 66 F 0.81743045270042 0.91666666666667 0.46371152264079 18.998 > 11 67 F 0.18256954729958 0.08333333333333 0.53628847735921 18.998 > 12 68 F 0.68256954729958 0.08333333333333 0.53628847735921 18.998 > 12 69 F 0.18256954729958 0.41666666666667 0.53628847735921 18.998 > 12 70 F 0.68256954729958 0.41666666666667 0.53628847735921 18.998 > 12 71 F 0.18256954729958 0.75000000000000 0.53628847735921 18.998 > 12 72 F 0.68256954729958 0.75000000000000 0.53628847735921 18.998 > 12 *73 F 0.49816953502645 0.08333333333333 0.44278220371799 18.998 > 13 74 F 0.99816953502645 0.08333333333333 0.44278220371799 18.998 > 13 75 F 0.49816953502645 0.41666666666667 0.44278220371799 18.998 > 13 76 F 0.99816953502645 0.41666666666667 0.44278220371799 18.998 > 13 77 F 0.49816953502645 0.75000000000000 0.44278220371799 18.998 > 13 78 F 0.99816953502645 0.75000000000000 0.44278220371799 18.998 > 13 79 F 0.00183046497355 0.25000000000000 0.55721779628200 18.998 > 14 80 F 0.50183046497355 0.25000000000000 0.55721779628200 18.998 > 14 81 F 0.00183046497355 0.58333333333333 0.55721779628200 18.998 > 14 82 F 0.50183046497355 0.58333333333333 0.55721779628200 18.998 > 14 83 F 0.00183046497355 0.91666666666667 0.55721779628200 18.998 > 14 84 F 0.50183046497355 0.91666666666667 0.55721779628200 18.998 > 14 85 F 0.24816953502645 0.08333333333333 0.05721779628200 18.998 > 15 86 F 0.74816953502645 0.08333333333333 0.05721779628200 18.998 > 15 87 F 0.24816953502645 0.41666666666667 0.05721779628200 18.998 > 15 88 F 0.74816953502645 0.41666666666667 0.05721779628200 18.998 > 15 89 F 0.24816953502645 0.75000000000000 0.05721779628200 18.998 > 15 90 F 0.74816953502645 0.75000000000000 0.05721779628200 18.998 > 15 91 F 0.25183046497355 0.25000000000000 0.94278220371800 18.998 > 16 92 F 0.75183046497355 0.25000000000000 0.94278220371800 18.998 > 16 93 F 0.25183046497355 0.58333333333333 0.94278220371800 18.998 > 16 94 F 0.75183046497355 0.58333333333333 0.94278220371800 18.998 > 16 95 F 0.25183046497355 0.91666666666667 0.94278220371800 18.998 > 16 96 F 0.75183046497355 0.91666666666667 0.94278220371800 18.998 > 16 *97 K 0.11082006581507 0.25000000000000 0.70250427966430 39.098 > 17 98 K 0.61082006581507 0.25000000000000 0.70250427966430 39.098 > 17 99 K 0.11082006581507 0.58333333333333 0.70250427966430 39.098 > 17 100 K 0.61082006581507 0.58333333333333 0.70250427966430 39.098 > 17 101 K 0.11082006581507 0.91666666666667 0.70250427966430 39.098 > 17 102 K 0.61082006581507 0.91666666666667 0.70250427966430 39.098 > 17 103 K 0.38917993418493 0.08333333333333 0.29749572033570 39.098 > 18 104 K 0.88917993418493 0.08333333333333 0.29749572033570 39.098 > 18 105 K 0.38917993418493 0.41666666666667 0.29749572033570 39.098 > 18 106 K 0.88917993418493 0.41666666666667 0.29749572033570 39.098 > 18 107 K 0.38917993418493 0.75000000000000 0.29749572033570 39.098 > 18 108 K 0.88917993418493 0.75000000000000 0.29749572033570 39.098 > 18 109 K 0.36082006581507 0.25000000000000 0.79749572033570 39.098 > 19 110 K 0.86082006581507 0.25000000000000 0.79749572033570 39.098 > 19 111 K 0.36082006581507 0.58333333333333 0.79749572033570 39.098 > 19 112 K 0.86082006581507 0.58333333333333 0.79749572033570 39.098 > 19 113 K 0.36082006581507 0.91666666666667 0.79749572033570 39.098 > 19 114 K 0.86082006581507 0.91666666666667 0.79749572033570 39.098 > 19 115 K 0.13917993418493 0.08333333333333 0.20250427966430 39.098 > 20 116 K 0.63917993418493 0.08333333333333 0.20250427966430 39.098 > 20 117 K 0.13917993418493 0.41666666666667 0.20250427966430 39.098 > 20 118 K 0.63917993418493 0.41666666666667 0.20250427966430 39.098 > 20 119 K 0.13917993418493 0.75000000000000 0.20250427966430 39.098 > 20 120 K 0.63917993418493 0.75000000000000 0.20250427966430 39.098 > 20 *121 Sm 0.12411365164737 0.08333333333333 0.94113111585429 150.360 > 21 122 Sm 0.62411365164737 0.08333333333333 0.94113111585429 150.360 > 21 123 Sm 0.12411365164737 0.41666666666667 0.94113111585429 150.360 > 21 124 Sm 0.62411365164737 0.41666666666667 0.94113111585429 150.360 > 21 125 Sm 0.12411365164737 0.75000000000000 0.94113111585429 150.360 > 21 126 Sm 0.62411365164737 0.75000000000000 0.94113111585429 150.360 > 21 127 Sm 0.37588634835263 0.25000000000000 0.05886888414570 150.360 > 22 128 Sm 0.87588634835263 0.25000000000000 0.05886888414570 150.360 > 22 129 Sm 0.37588634835263 0.58333333333333 0.05886888414570 150.360 > 22 130 Sm 0.87588634835263 0.58333333333333 0.05886888414570 150.360 > 22 131 Sm 0.37588634835263 0.91666666666667 0.05886888414570 150.360 > 22 132 Sm 0.87588634835263 0.91666666666667 0.05886888414570 150.360 > 22 133 Sm 0.37411365164737 0.08333333333333 0.55886888414571 150.360 > 23 134 Sm 0.87411365164737 0.08333333333333 0.55886888414571 150.360 > 23 135 Sm 0.37411365164737 0.41666666666667 0.55886888414571 150.360 > 23 136 Sm 0.87411365164737 0.41666666666667 0.55886888414571 150.360 > 23 137 Sm 0.37411365164737 0.75000000000000 0.55886888414571 150.360 > 23 138 Sm 0.87411365164737 0.75000000000000 0.55886888414571 150.360 > 23 139 Sm 0.12588634835263 0.25000000000000 0.44113111585429 150.360 > 24 140 Sm 0.62588634835263 0.25000000000000 0.44113111585429 150.360 > 24 141 Sm 0.12588634835263 0.58333333333333 0.44113111585429 150.360 > 24 142 Sm 0.62588634835263 0.58333333333333 0.44113111585429 150.360 > 24 143 Sm 0.12588634835263 0.91666666666667 0.44113111585429 150.360 > 24 144 Sm 0.62588634835263 0.91666666666667 0.44113111585429 150.360 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4228198 0.0000000 0.0000000 0.0000000 2.4855421 0.0000000 0.0000000 0.0000000 2.3832422 -------------------------- Born effective charges -------------------------- 1 F -1.0280026 0.0000000 0.2714410 0.0000000 -0.9767273 0.0000000 0.2897467 0.0000000 -1.5426815 2 F -1.0280026 0.0000000 0.2714410 0.0000000 -0.9767273 0.0000000 0.2897467 0.0000000 -1.5426815 3 F -1.0280026 0.0000000 -0.2714410 0.0000000 -0.9767273 0.0000000 -0.2897467 0.0000000 -1.5426815 4 F -1.0280026 0.0000000 -0.2714410 0.0000000 -0.9767273 0.0000000 -0.2897467 0.0000000 -1.5426815 5 F -0.9882809 0.0000000 -0.2117485 0.0000000 -1.5793333 0.0000000 -0.2087928 0.0000000 -1.1205130 6 F -0.9882809 0.0000000 -0.2117485 0.0000000 -1.5793333 0.0000000 -0.2087928 0.0000000 -1.1205130 7 F -0.9882809 0.0000000 0.2117485 0.0000000 -1.5793333 0.0000000 0.2087928 0.0000000 -1.1205130 8 F -0.9882809 0.0000000 0.2117485 0.0000000 -1.5793333 0.0000000 0.2087928 0.0000000 -1.1205130 9 F -1.4009490 0.0000000 0.2912657 0.0000000 -1.3079498 0.0000000 0.2828674 0.0000000 -0.9523899 10 F -1.4009490 0.0000000 0.2912657 0.0000000 -1.3079498 0.0000000 0.2828674 0.0000000 -0.9523899 11 F -1.4009490 0.0000000 -0.2912657 0.0000000 -1.3079498 0.0000000 -0.2828674 0.0000000 -0.9523899 12 F -1.4009490 0.0000000 -0.2912657 0.0000000 -1.3079498 0.0000000 -0.2828674 0.0000000 -0.9523899 13 F -1.4094874 0.0000000 0.3075370 0.0000000 -1.3146513 0.0000000 0.2855557 0.0000000 -0.9880173 14 F -1.4094874 0.0000000 0.3075370 0.0000000 -1.3146513 0.0000000 0.2855557 0.0000000 -0.9880173 15 F -1.4094874 0.0000000 -0.3075370 0.0000000 -1.3146513 0.0000000 -0.2855557 0.0000000 -0.9880173 16 F -1.4094874 0.0000000 -0.3075370 0.0000000 -1.3146513 0.0000000 -0.2855557 0.0000000 -0.9880173 17 K 1.2258385 0.0000000 0.0484491 0.0000000 1.0887799 0.0000000 0.0862653 0.0000000 1.3805412 18 K 1.2258385 0.0000000 0.0484491 0.0000000 1.0887799 0.0000000 0.0862653 0.0000000 1.3805412 19 K 1.2258385 0.0000000 -0.0484491 0.0000000 1.0887799 0.0000000 -0.0862653 0.0000000 1.3805412 20 K 1.2258385 0.0000000 -0.0484491 0.0000000 1.0887799 0.0000000 -0.0862653 0.0000000 1.3805412 21 Sm 3.6008815 0.0000000 -0.0904402 0.0000000 4.0898819 0.0000000 -0.1006248 0.0000000 3.2230605 22 Sm 3.6008815 0.0000000 -0.0904402 0.0000000 4.0898819 0.0000000 -0.1006248 0.0000000 3.2230605 23 Sm 3.6008815 0.0000000 0.0904402 0.0000000 4.0898819 0.0000000 0.1006248 0.0000000 3.2230605 24 Sm 3.6008815 0.0000000 0.0904402 0.0000000 4.0898819 0.0000000 0.1006248 0.0000000 3.2230605 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 0.933 Solver_block: 200 / 400 - Time: 0.790 Solver_block: 300 / 400 - Time: 0.824 Solver_block: 400 / 400 - Time: 0.829 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.712 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:37:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:37:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.152855880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.659436410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.535515410000000 Atomic positions (fractional): 1 F 0.40578465888548 0.25000000000000 0.81010679781110 18.998 2 F 0.59421534111452 0.75000000000000 0.18989320218889 18.998 3 F 0.90578465888548 0.25000000000000 0.68989320218890 18.998 4 F 0.09421534111452 0.75000000000000 0.31010679781111 18.998 5 F 0.10479594102296 0.75000000000000 0.86844536143550 18.998 6 F 0.89520405897704 0.25000000000000 0.13155463856450 18.998 7 F 0.60479594102296 0.75000000000000 0.63155463856450 18.998 8 F 0.39520405897704 0.25000000000000 0.36844536143550 18.998 9 F 0.13486090540083 0.75000000000000 0.03628847735921 18.998 10 F 0.86513909459917 0.25000000000000 0.96371152264079 18.998 11 F 0.63486090540083 0.75000000000000 0.46371152264079 18.998 12 F 0.36513909459917 0.25000000000000 0.53628847735921 18.998 13 F 0.99633907005290 0.25000000000000 0.44278220371799 18.998 14 F 0.00366092994710 0.75000000000000 0.55721779628200 18.998 15 F 0.49633907005290 0.25000000000000 0.05721779628200 18.998 16 F 0.50366092994710 0.75000000000000 0.94278220371800 18.998 17 K 0.22164013163015 0.75000000000000 0.70250427966430 39.098 18 K 0.77835986836985 0.25000000000000 0.29749572033570 39.098 19 K 0.72164013163015 0.75000000000000 0.79749572033570 39.098 20 K 0.27835986836985 0.25000000000000 0.20250427966430 39.098 21 Sm 0.24822730329474 0.25000000000000 0.94113111585429 150.360 22 Sm 0.75177269670526 0.75000000000000 0.05886888414570 150.360 23 Sm 0.74822730329474 0.25000000000000 0.55886888414571 150.360 24 Sm 0.25177269670526 0.75000000000000 0.44113111585429 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.305711759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.978309230000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.535515410000000 Atomic positions (fractional): 1 F 0.20289232944274 0.08333333333333 0.81010679781110 18.998 > 1 2 F 0.70289232944274 0.08333333333333 0.81010679781110 18.998 > 1 3 F 0.20289232944274 0.41666666666667 0.81010679781110 18.998 > 1 4 F 0.70289232944274 0.41666666666667 0.81010679781110 18.998 > 1 5 F 0.20289232944274 0.75000000000000 0.81010679781110 18.998 > 1 6 F 0.70289232944274 0.75000000000000 0.81010679781110 18.998 > 1 7 F 0.29710767055726 0.25000000000000 0.18989320218889 18.998 > 7 8 F 0.79710767055726 0.25000000000000 0.18989320218889 18.998 > 7 9 F 0.29710767055726 0.58333333333333 0.18989320218889 18.998 > 7 10 F 0.79710767055726 0.58333333333333 0.18989320218889 18.998 > 7 11 F 0.29710767055726 0.91666666666667 0.18989320218889 18.998 > 7 12 F 0.79710767055726 0.91666666666667 0.18989320218889 18.998 > 7 13 F 0.45289232944274 0.08333333333333 0.68989320218890 18.998 > 13 14 F 0.95289232944274 0.08333333333333 0.68989320218890 18.998 > 13 15 F 0.45289232944274 0.41666666666667 0.68989320218890 18.998 > 13 16 F 0.95289232944274 0.41666666666667 0.68989320218890 18.998 > 13 17 F 0.45289232944274 0.75000000000000 0.68989320218890 18.998 > 13 18 F 0.95289232944274 0.75000000000000 0.68989320218890 18.998 > 13 19 F 0.04710767055726 0.25000000000000 0.31010679781111 18.998 > 19 20 F 0.54710767055726 0.25000000000000 0.31010679781111 18.998 > 19 21 F 0.04710767055726 0.58333333333333 0.31010679781111 18.998 > 19 22 F 0.54710767055726 0.58333333333333 0.31010679781111 18.998 > 19 23 F 0.04710767055726 0.91666666666667 0.31010679781111 18.998 > 19 24 F 0.54710767055726 0.91666666666667 0.31010679781111 18.998 > 19 25 F 0.05239797051148 0.25000000000000 0.86844536143550 18.998 > 25 26 F 0.55239797051148 0.25000000000000 0.86844536143550 18.998 > 25 27 F 0.05239797051148 0.58333333333333 0.86844536143550 18.998 > 25 28 F 0.55239797051148 0.58333333333333 0.86844536143550 18.998 > 25 29 F 0.05239797051148 0.91666666666667 0.86844536143550 18.998 > 25 30 F 0.55239797051148 0.91666666666667 0.86844536143550 18.998 > 25 31 F 0.44760202948852 0.08333333333333 0.13155463856450 18.998 > 31 32 F 0.94760202948852 0.08333333333333 0.13155463856450 18.998 > 31 33 F 0.44760202948852 0.41666666666667 0.13155463856450 18.998 > 31 34 F 0.94760202948852 0.41666666666667 0.13155463856450 18.998 > 31 35 F 0.44760202948852 0.75000000000000 0.13155463856450 18.998 > 31 36 F 0.94760202948852 0.75000000000000 0.13155463856450 18.998 > 31 37 F 0.30239797051148 0.25000000000000 0.63155463856450 18.998 > 37 38 F 0.80239797051148 0.25000000000000 0.63155463856450 18.998 > 37 39 F 0.30239797051148 0.58333333333333 0.63155463856450 18.998 > 37 40 F 0.80239797051148 0.58333333333333 0.63155463856450 18.998 > 37 41 F 0.30239797051148 0.91666666666667 0.63155463856450 18.998 > 37 42 F 0.80239797051148 0.91666666666667 0.63155463856450 18.998 > 37 43 F 0.19760202948852 0.08333333333333 0.36844536143550 18.998 > 43 44 F 0.69760202948852 0.08333333333333 0.36844536143550 18.998 > 43 45 F 0.19760202948852 0.41666666666667 0.36844536143550 18.998 > 43 46 F 0.69760202948852 0.41666666666667 0.36844536143550 18.998 > 43 47 F 0.19760202948852 0.75000000000000 0.36844536143550 18.998 > 43 48 F 0.69760202948852 0.75000000000000 0.36844536143550 18.998 > 43 49 F 0.06743045270042 0.25000000000000 0.03628847735921 18.998 > 49 50 F 0.56743045270042 0.25000000000000 0.03628847735921 18.998 > 49 51 F 0.06743045270042 0.58333333333333 0.03628847735921 18.998 > 49 52 F 0.56743045270042 0.58333333333333 0.03628847735921 18.998 > 49 53 F 0.06743045270042 0.91666666666667 0.03628847735921 18.998 > 49 54 F 0.56743045270042 0.91666666666667 0.03628847735921 18.998 > 49 55 F 0.43256954729958 0.08333333333333 0.96371152264079 18.998 > 55 56 F 0.93256954729958 0.08333333333333 0.96371152264079 18.998 > 55 57 F 0.43256954729958 0.41666666666667 0.96371152264079 18.998 > 55 58 F 0.93256954729958 0.41666666666667 0.96371152264079 18.998 > 55 59 F 0.43256954729958 0.75000000000000 0.96371152264079 18.998 > 55 60 F 0.93256954729958 0.75000000000000 0.96371152264079 18.998 > 55 61 F 0.31743045270042 0.25000000000000 0.46371152264079 18.998 > 61 62 F 0.81743045270042 0.25000000000000 0.46371152264079 18.998 > 61 63 F 0.31743045270042 0.58333333333333 0.46371152264079 18.998 > 61 64 F 0.81743045270042 0.58333333333333 0.46371152264079 18.998 > 61 65 F 0.31743045270042 0.91666666666667 0.46371152264079 18.998 > 61 66 F 0.81743045270042 0.91666666666667 0.46371152264079 18.998 > 61 67 F 0.18256954729958 0.08333333333333 0.53628847735921 18.998 > 67 68 F 0.68256954729958 0.08333333333333 0.53628847735921 18.998 > 67 69 F 0.18256954729958 0.41666666666667 0.53628847735921 18.998 > 67 70 F 0.68256954729958 0.41666666666667 0.53628847735921 18.998 > 67 71 F 0.18256954729958 0.75000000000000 0.53628847735921 18.998 > 67 72 F 0.68256954729958 0.75000000000000 0.53628847735921 18.998 > 67 73 F 0.49816953502645 0.08333333333333 0.44278220371799 18.998 > 73 74 F 0.99816953502645 0.08333333333333 0.44278220371799 18.998 > 73 75 F 0.49816953502645 0.41666666666667 0.44278220371799 18.998 > 73 76 F 0.99816953502645 0.41666666666667 0.44278220371799 18.998 > 73 77 F 0.49816953502645 0.75000000000000 0.44278220371799 18.998 > 73 78 F 0.99816953502645 0.75000000000000 0.44278220371799 18.998 > 73 79 F 0.00183046497355 0.25000000000000 0.55721779628200 18.998 > 79 80 F 0.50183046497355 0.25000000000000 0.55721779628200 18.998 > 79 81 F 0.00183046497355 0.58333333333333 0.55721779628200 18.998 > 79 82 F 0.50183046497355 0.58333333333333 0.55721779628200 18.998 > 79 83 F 0.00183046497355 0.91666666666667 0.55721779628200 18.998 > 79 84 F 0.50183046497355 0.91666666666667 0.55721779628200 18.998 > 79 85 F 0.24816953502645 0.08333333333333 0.05721779628200 18.998 > 85 86 F 0.74816953502645 0.08333333333333 0.05721779628200 18.998 > 85 87 F 0.24816953502645 0.41666666666667 0.05721779628200 18.998 > 85 88 F 0.74816953502645 0.41666666666667 0.05721779628200 18.998 > 85 89 F 0.24816953502645 0.75000000000000 0.05721779628200 18.998 > 85 90 F 0.74816953502645 0.75000000000000 0.05721779628200 18.998 > 85 91 F 0.25183046497355 0.25000000000000 0.94278220371800 18.998 > 91 92 F 0.75183046497355 0.25000000000000 0.94278220371800 18.998 > 91 93 F 0.25183046497355 0.58333333333333 0.94278220371800 18.998 > 91 94 F 0.75183046497355 0.58333333333333 0.94278220371800 18.998 > 91 95 F 0.25183046497355 0.91666666666667 0.94278220371800 18.998 > 91 96 F 0.75183046497355 0.91666666666667 0.94278220371800 18.998 > 91 97 K 0.11082006581507 0.25000000000000 0.70250427966430 39.098 > 97 98 K 0.61082006581507 0.25000000000000 0.70250427966430 39.098 > 97 99 K 0.11082006581507 0.58333333333333 0.70250427966430 39.098 > 97 100 K 0.61082006581507 0.58333333333333 0.70250427966430 39.098 > 97 101 K 0.11082006581507 0.91666666666667 0.70250427966430 39.098 > 97 102 K 0.61082006581507 0.91666666666667 0.70250427966430 39.098 > 97 103 K 0.38917993418493 0.08333333333333 0.29749572033570 39.098 > 103 104 K 0.88917993418493 0.08333333333333 0.29749572033570 39.098 > 103 105 K 0.38917993418493 0.41666666666667 0.29749572033570 39.098 > 103 106 K 0.88917993418493 0.41666666666667 0.29749572033570 39.098 > 103 107 K 0.38917993418493 0.75000000000000 0.29749572033570 39.098 > 103 108 K 0.88917993418493 0.75000000000000 0.29749572033570 39.098 > 103 109 K 0.36082006581507 0.25000000000000 0.79749572033570 39.098 > 109 110 K 0.86082006581507 0.25000000000000 0.79749572033570 39.098 > 109 111 K 0.36082006581507 0.58333333333333 0.79749572033570 39.098 > 109 112 K 0.86082006581507 0.58333333333333 0.79749572033570 39.098 > 109 113 K 0.36082006581507 0.91666666666667 0.79749572033570 39.098 > 109 114 K 0.86082006581507 0.91666666666667 0.79749572033570 39.098 > 109 115 K 0.13917993418493 0.08333333333333 0.20250427966430 39.098 > 115 116 K 0.63917993418493 0.08333333333333 0.20250427966430 39.098 > 115 117 K 0.13917993418493 0.41666666666667 0.20250427966430 39.098 > 115 118 K 0.63917993418493 0.41666666666667 0.20250427966430 39.098 > 115 119 K 0.13917993418493 0.75000000000000 0.20250427966430 39.098 > 115 120 K 0.63917993418493 0.75000000000000 0.20250427966430 39.098 > 115 121 Sm 0.12411365164737 0.08333333333333 0.94113111585429 150.360 > 121 122 Sm 0.62411365164737 0.08333333333333 0.94113111585429 150.360 > 121 123 Sm 0.12411365164737 0.41666666666667 0.94113111585429 150.360 > 121 124 Sm 0.62411365164737 0.41666666666667 0.94113111585429 150.360 > 121 125 Sm 0.12411365164737 0.75000000000000 0.94113111585429 150.360 > 121 126 Sm 0.62411365164737 0.75000000000000 0.94113111585429 150.360 > 121 127 Sm 0.37588634835263 0.25000000000000 0.05886888414570 150.360 > 127 128 Sm 0.87588634835263 0.25000000000000 0.05886888414570 150.360 > 127 129 Sm 0.37588634835263 0.58333333333333 0.05886888414570 150.360 > 127 130 Sm 0.87588634835263 0.58333333333333 0.05886888414570 150.360 > 127 131 Sm 0.37588634835263 0.91666666666667 0.05886888414570 150.360 > 127 132 Sm 0.87588634835263 0.91666666666667 0.05886888414570 150.360 > 127 133 Sm 0.37411365164737 0.08333333333333 0.55886888414571 150.360 > 133 134 Sm 0.87411365164737 0.08333333333333 0.55886888414571 150.360 > 133 135 Sm 0.37411365164737 0.41666666666667 0.55886888414571 150.360 > 133 136 Sm 0.87411365164737 0.41666666666667 0.55886888414571 150.360 > 133 137 Sm 0.37411365164737 0.75000000000000 0.55886888414571 150.360 > 133 138 Sm 0.87411365164737 0.75000000000000 0.55886888414571 150.360 > 133 139 Sm 0.12588634835263 0.25000000000000 0.44113111585429 150.360 > 139 140 Sm 0.62588634835263 0.25000000000000 0.44113111585429 150.360 > 139 141 Sm 0.12588634835263 0.58333333333333 0.44113111585429 150.360 > 139 142 Sm 0.62588634835263 0.58333333333333 0.44113111585429 150.360 > 139 143 Sm 0.12588634835263 0.91666666666667 0.44113111585429 150.360 > 139 144 Sm 0.62588634835263 0.91666666666667 0.44113111585429 150.360 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4228198 0.0000000 0.0000000 0.0000000 2.4855421 0.0000000 0.0000000 0.0000000 2.3832422 -------------------------- Born effective charges -------------------------- 1 F -1.0280026 0.0000000 0.2714410 0.0000000 -0.9767273 0.0000000 0.2897467 0.0000000 -1.5426815 2 F -1.0280026 0.0000000 0.2714410 0.0000000 -0.9767273 0.0000000 0.2897467 0.0000000 -1.5426815 3 F -1.0280026 0.0000000 -0.2714410 0.0000000 -0.9767273 0.0000000 -0.2897467 0.0000000 -1.5426815 4 F -1.0280026 0.0000000 -0.2714410 0.0000000 -0.9767273 0.0000000 -0.2897467 0.0000000 -1.5426815 5 F -0.9882809 0.0000000 -0.2117485 0.0000000 -1.5793333 0.0000000 -0.2087928 0.0000000 -1.1205130 6 F -0.9882809 0.0000000 -0.2117485 0.0000000 -1.5793333 0.0000000 -0.2087928 0.0000000 -1.1205130 7 F -0.9882809 0.0000000 0.2117485 0.0000000 -1.5793333 0.0000000 0.2087928 0.0000000 -1.1205130 8 F -0.9882809 0.0000000 0.2117485 0.0000000 -1.5793333 0.0000000 0.2087928 0.0000000 -1.1205130 9 F -1.4009490 0.0000000 0.2912657 0.0000000 -1.3079498 0.0000000 0.2828674 0.0000000 -0.9523899 10 F -1.4009490 0.0000000 0.2912657 0.0000000 -1.3079498 0.0000000 0.2828674 0.0000000 -0.9523899 11 F -1.4009490 0.0000000 -0.2912657 0.0000000 -1.3079498 0.0000000 -0.2828674 0.0000000 -0.9523899 12 F -1.4009490 0.0000000 -0.2912657 0.0000000 -1.3079498 0.0000000 -0.2828674 0.0000000 -0.9523899 13 F -1.4094874 0.0000000 0.3075370 0.0000000 -1.3146513 0.0000000 0.2855557 0.0000000 -0.9880173 14 F -1.4094874 0.0000000 0.3075370 0.0000000 -1.3146513 0.0000000 0.2855557 0.0000000 -0.9880173 15 F -1.4094874 0.0000000 -0.3075370 0.0000000 -1.3146513 0.0000000 -0.2855557 0.0000000 -0.9880173 16 F -1.4094874 0.0000000 -0.3075370 0.0000000 -1.3146513 0.0000000 -0.2855557 0.0000000 -0.9880173 17 K 1.2258385 0.0000000 0.0484491 0.0000000 1.0887799 0.0000000 0.0862653 0.0000000 1.3805412 18 K 1.2258385 0.0000000 0.0484491 0.0000000 1.0887799 0.0000000 0.0862653 0.0000000 1.3805412 19 K 1.2258385 0.0000000 -0.0484491 0.0000000 1.0887799 0.0000000 -0.0862653 0.0000000 1.3805412 20 K 1.2258385 0.0000000 -0.0484491 0.0000000 1.0887799 0.0000000 -0.0862653 0.0000000 1.3805412 21 Sm 3.6008815 0.0000000 -0.0904402 0.0000000 4.0898819 0.0000000 -0.1006248 0.0000000 3.2230605 22 Sm 3.6008815 0.0000000 -0.0904402 0.0000000 4.0898819 0.0000000 -0.1006248 0.0000000 3.2230605 23 Sm 3.6008815 0.0000000 0.0904402 0.0000000 4.0898819 0.0000000 0.1006248 0.0000000 3.2230605 24 Sm 3.6008815 0.0000000 0.0904402 0.0000000 4.0898819 0.0000000 0.1006248 0.0000000 3.2230605 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:38:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:38:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.152855880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.659436410000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.535515410000000 Atomic positions (fractional): 1 F 0.40578465888548 0.25000000000000 0.81010679781110 18.998 2 F 0.59421534111452 0.75000000000000 0.18989320218889 18.998 3 F 0.90578465888548 0.25000000000000 0.68989320218890 18.998 4 F 0.09421534111452 0.75000000000000 0.31010679781111 18.998 5 F 0.10479594102296 0.75000000000000 0.86844536143550 18.998 6 F 0.89520405897704 0.25000000000000 0.13155463856450 18.998 7 F 0.60479594102296 0.75000000000000 0.63155463856450 18.998 8 F 0.39520405897704 0.25000000000000 0.36844536143550 18.998 9 F 0.13486090540083 0.75000000000000 0.03628847735921 18.998 10 F 0.86513909459917 0.25000000000000 0.96371152264079 18.998 11 F 0.63486090540083 0.75000000000000 0.46371152264079 18.998 12 F 0.36513909459917 0.25000000000000 0.53628847735921 18.998 13 F 0.99633907005290 0.25000000000000 0.44278220371799 18.998 14 F 0.00366092994710 0.75000000000000 0.55721779628200 18.998 15 F 0.49633907005290 0.25000000000000 0.05721779628200 18.998 16 F 0.50366092994710 0.75000000000000 0.94278220371800 18.998 17 K 0.22164013163015 0.75000000000000 0.70250427966430 39.098 18 K 0.77835986836985 0.25000000000000 0.29749572033570 39.098 19 K 0.72164013163015 0.75000000000000 0.79749572033570 39.098 20 K 0.27835986836985 0.25000000000000 0.20250427966430 39.098 21 Sm 0.24822730329474 0.25000000000000 0.94113111585429 150.360 22 Sm 0.75177269670526 0.75000000000000 0.05886888414570 150.360 23 Sm 0.74822730329474 0.25000000000000 0.55886888414571 150.360 24 Sm 0.25177269670526 0.75000000000000 0.44113111585429 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.305711759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.978309230000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.535515410000000 Atomic positions (fractional): 1 F 0.20289232944274 0.08333333333333 0.81010679781110 18.998 > 1 2 F 0.70289232944274 0.08333333333333 0.81010679781110 18.998 > 1 3 F 0.20289232944274 0.41666666666667 0.81010679781110 18.998 > 1 4 F 0.70289232944274 0.41666666666667 0.81010679781110 18.998 > 1 5 F 0.20289232944274 0.75000000000000 0.81010679781110 18.998 > 1 6 F 0.70289232944274 0.75000000000000 0.81010679781110 18.998 > 1 7 F 0.29710767055726 0.25000000000000 0.18989320218889 18.998 > 7 8 F 0.79710767055726 0.25000000000000 0.18989320218889 18.998 > 7 9 F 0.29710767055726 0.58333333333333 0.18989320218889 18.998 > 7 10 F 0.79710767055726 0.58333333333333 0.18989320218889 18.998 > 7 11 F 0.29710767055726 0.91666666666667 0.18989320218889 18.998 > 7 12 F 0.79710767055726 0.91666666666667 0.18989320218889 18.998 > 7 13 F 0.45289232944274 0.08333333333333 0.68989320218890 18.998 > 13 14 F 0.95289232944274 0.08333333333333 0.68989320218890 18.998 > 13 15 F 0.45289232944274 0.41666666666667 0.68989320218890 18.998 > 13 16 F 0.95289232944274 0.41666666666667 0.68989320218890 18.998 > 13 17 F 0.45289232944274 0.75000000000000 0.68989320218890 18.998 > 13 18 F 0.95289232944274 0.75000000000000 0.68989320218890 18.998 > 13 19 F 0.04710767055726 0.25000000000000 0.31010679781111 18.998 > 19 20 F 0.54710767055726 0.25000000000000 0.31010679781111 18.998 > 19 21 F 0.04710767055726 0.58333333333333 0.31010679781111 18.998 > 19 22 F 0.54710767055726 0.58333333333333 0.31010679781111 18.998 > 19 23 F 0.04710767055726 0.91666666666667 0.31010679781111 18.998 > 19 24 F 0.54710767055726 0.91666666666667 0.31010679781111 18.998 > 19 25 F 0.05239797051148 0.25000000000000 0.86844536143550 18.998 > 25 26 F 0.55239797051148 0.25000000000000 0.86844536143550 18.998 > 25 27 F 0.05239797051148 0.58333333333333 0.86844536143550 18.998 > 25 28 F 0.55239797051148 0.58333333333333 0.86844536143550 18.998 > 25 29 F 0.05239797051148 0.91666666666667 0.86844536143550 18.998 > 25 30 F 0.55239797051148 0.91666666666667 0.86844536143550 18.998 > 25 31 F 0.44760202948852 0.08333333333333 0.13155463856450 18.998 > 31 32 F 0.94760202948852 0.08333333333333 0.13155463856450 18.998 > 31 33 F 0.44760202948852 0.41666666666667 0.13155463856450 18.998 > 31 34 F 0.94760202948852 0.41666666666667 0.13155463856450 18.998 > 31 35 F 0.44760202948852 0.75000000000000 0.13155463856450 18.998 > 31 36 F 0.94760202948852 0.75000000000000 0.13155463856450 18.998 > 31 37 F 0.30239797051148 0.25000000000000 0.63155463856450 18.998 > 37 38 F 0.80239797051148 0.25000000000000 0.63155463856450 18.998 > 37 39 F 0.30239797051148 0.58333333333333 0.63155463856450 18.998 > 37 40 F 0.80239797051148 0.58333333333333 0.63155463856450 18.998 > 37 41 F 0.30239797051148 0.91666666666667 0.63155463856450 18.998 > 37 42 F 0.80239797051148 0.91666666666667 0.63155463856450 18.998 > 37 43 F 0.19760202948852 0.08333333333333 0.36844536143550 18.998 > 43 44 F 0.69760202948852 0.08333333333333 0.36844536143550 18.998 > 43 45 F 0.19760202948852 0.41666666666667 0.36844536143550 18.998 > 43 46 F 0.69760202948852 0.41666666666667 0.36844536143550 18.998 > 43 47 F 0.19760202948852 0.75000000000000 0.36844536143550 18.998 > 43 48 F 0.69760202948852 0.75000000000000 0.36844536143550 18.998 > 43 49 F 0.06743045270042 0.25000000000000 0.03628847735921 18.998 > 49 50 F 0.56743045270042 0.25000000000000 0.03628847735921 18.998 > 49 51 F 0.06743045270042 0.58333333333333 0.03628847735921 18.998 > 49 52 F 0.56743045270042 0.58333333333333 0.03628847735921 18.998 > 49 53 F 0.06743045270042 0.91666666666667 0.03628847735921 18.998 > 49 54 F 0.56743045270042 0.91666666666667 0.03628847735921 18.998 > 49 55 F 0.43256954729958 0.08333333333333 0.96371152264079 18.998 > 55 56 F 0.93256954729958 0.08333333333333 0.96371152264079 18.998 > 55 57 F 0.43256954729958 0.41666666666667 0.96371152264079 18.998 > 55 58 F 0.93256954729958 0.41666666666667 0.96371152264079 18.998 > 55 59 F 0.43256954729958 0.75000000000000 0.96371152264079 18.998 > 55 60 F 0.93256954729958 0.75000000000000 0.96371152264079 18.998 > 55 61 F 0.31743045270042 0.25000000000000 0.46371152264079 18.998 > 61 62 F 0.81743045270042 0.25000000000000 0.46371152264079 18.998 > 61 63 F 0.31743045270042 0.58333333333333 0.46371152264079 18.998 > 61 64 F 0.81743045270042 0.58333333333333 0.46371152264079 18.998 > 61 65 F 0.31743045270042 0.91666666666667 0.46371152264079 18.998 > 61 66 F 0.81743045270042 0.91666666666667 0.46371152264079 18.998 > 61 67 F 0.18256954729958 0.08333333333333 0.53628847735921 18.998 > 67 68 F 0.68256954729958 0.08333333333333 0.53628847735921 18.998 > 67 69 F 0.18256954729958 0.41666666666667 0.53628847735921 18.998 > 67 70 F 0.68256954729958 0.41666666666667 0.53628847735921 18.998 > 67 71 F 0.18256954729958 0.75000000000000 0.53628847735921 18.998 > 67 72 F 0.68256954729958 0.75000000000000 0.53628847735921 18.998 > 67 73 F 0.49816953502645 0.08333333333333 0.44278220371799 18.998 > 73 74 F 0.99816953502645 0.08333333333333 0.44278220371799 18.998 > 73 75 F 0.49816953502645 0.41666666666667 0.44278220371799 18.998 > 73 76 F 0.99816953502645 0.41666666666667 0.44278220371799 18.998 > 73 77 F 0.49816953502645 0.75000000000000 0.44278220371799 18.998 > 73 78 F 0.99816953502645 0.75000000000000 0.44278220371799 18.998 > 73 79 F 0.00183046497355 0.25000000000000 0.55721779628200 18.998 > 79 80 F 0.50183046497355 0.25000000000000 0.55721779628200 18.998 > 79 81 F 0.00183046497355 0.58333333333333 0.55721779628200 18.998 > 79 82 F 0.50183046497355 0.58333333333333 0.55721779628200 18.998 > 79 83 F 0.00183046497355 0.91666666666667 0.55721779628200 18.998 > 79 84 F 0.50183046497355 0.91666666666667 0.55721779628200 18.998 > 79 85 F 0.24816953502645 0.08333333333333 0.05721779628200 18.998 > 85 86 F 0.74816953502645 0.08333333333333 0.05721779628200 18.998 > 85 87 F 0.24816953502645 0.41666666666667 0.05721779628200 18.998 > 85 88 F 0.74816953502645 0.41666666666667 0.05721779628200 18.998 > 85 89 F 0.24816953502645 0.75000000000000 0.05721779628200 18.998 > 85 90 F 0.74816953502645 0.75000000000000 0.05721779628200 18.998 > 85 91 F 0.25183046497355 0.25000000000000 0.94278220371800 18.998 > 91 92 F 0.75183046497355 0.25000000000000 0.94278220371800 18.998 > 91 93 F 0.25183046497355 0.58333333333333 0.94278220371800 18.998 > 91 94 F 0.75183046497355 0.58333333333333 0.94278220371800 18.998 > 91 95 F 0.25183046497355 0.91666666666667 0.94278220371800 18.998 > 91 96 F 0.75183046497355 0.91666666666667 0.94278220371800 18.998 > 91 97 K 0.11082006581507 0.25000000000000 0.70250427966430 39.098 > 97 98 K 0.61082006581507 0.25000000000000 0.70250427966430 39.098 > 97 99 K 0.11082006581507 0.58333333333333 0.70250427966430 39.098 > 97 100 K 0.61082006581507 0.58333333333333 0.70250427966430 39.098 > 97 101 K 0.11082006581507 0.91666666666667 0.70250427966430 39.098 > 97 102 K 0.61082006581507 0.91666666666667 0.70250427966430 39.098 > 97 103 K 0.38917993418493 0.08333333333333 0.29749572033570 39.098 > 103 104 K 0.88917993418493 0.08333333333333 0.29749572033570 39.098 > 103 105 K 0.38917993418493 0.41666666666667 0.29749572033570 39.098 > 103 106 K 0.88917993418493 0.41666666666667 0.29749572033570 39.098 > 103 107 K 0.38917993418493 0.75000000000000 0.29749572033570 39.098 > 103 108 K 0.88917993418493 0.75000000000000 0.29749572033570 39.098 > 103 109 K 0.36082006581507 0.25000000000000 0.79749572033570 39.098 > 109 110 K 0.86082006581507 0.25000000000000 0.79749572033570 39.098 > 109 111 K 0.36082006581507 0.58333333333333 0.79749572033570 39.098 > 109 112 K 0.86082006581507 0.58333333333333 0.79749572033570 39.098 > 109 113 K 0.36082006581507 0.91666666666667 0.79749572033570 39.098 > 109 114 K 0.86082006581507 0.91666666666667 0.79749572033570 39.098 > 109 115 K 0.13917993418493 0.08333333333333 0.20250427966430 39.098 > 115 116 K 0.63917993418493 0.08333333333333 0.20250427966430 39.098 > 115 117 K 0.13917993418493 0.41666666666667 0.20250427966430 39.098 > 115 118 K 0.63917993418493 0.41666666666667 0.20250427966430 39.098 > 115 119 K 0.13917993418493 0.75000000000000 0.20250427966430 39.098 > 115 120 K 0.63917993418493 0.75000000000000 0.20250427966430 39.098 > 115 121 Sm 0.12411365164737 0.08333333333333 0.94113111585429 150.360 > 121 122 Sm 0.62411365164737 0.08333333333333 0.94113111585429 150.360 > 121 123 Sm 0.12411365164737 0.41666666666667 0.94113111585429 150.360 > 121 124 Sm 0.62411365164737 0.41666666666667 0.94113111585429 150.360 > 121 125 Sm 0.12411365164737 0.75000000000000 0.94113111585429 150.360 > 121 126 Sm 0.62411365164737 0.75000000000000 0.94113111585429 150.360 > 121 127 Sm 0.37588634835263 0.25000000000000 0.05886888414570 150.360 > 127 128 Sm 0.87588634835263 0.25000000000000 0.05886888414570 150.360 > 127 129 Sm 0.37588634835263 0.58333333333333 0.05886888414570 150.360 > 127 130 Sm 0.87588634835263 0.58333333333333 0.05886888414570 150.360 > 127 131 Sm 0.37588634835263 0.91666666666667 0.05886888414570 150.360 > 127 132 Sm 0.87588634835263 0.91666666666667 0.05886888414570 150.360 > 127 133 Sm 0.37411365164737 0.08333333333333 0.55886888414571 150.360 > 133 134 Sm 0.87411365164737 0.08333333333333 0.55886888414571 150.360 > 133 135 Sm 0.37411365164737 0.41666666666667 0.55886888414571 150.360 > 133 136 Sm 0.87411365164737 0.41666666666667 0.55886888414571 150.360 > 133 137 Sm 0.37411365164737 0.75000000000000 0.55886888414571 150.360 > 133 138 Sm 0.87411365164737 0.75000000000000 0.55886888414571 150.360 > 133 139 Sm 0.12588634835263 0.25000000000000 0.44113111585429 150.360 > 139 140 Sm 0.62588634835263 0.25000000000000 0.44113111585429 150.360 > 139 141 Sm 0.12588634835263 0.58333333333333 0.44113111585429 150.360 > 139 142 Sm 0.62588634835263 0.58333333333333 0.44113111585429 150.360 > 139 143 Sm 0.12588634835263 0.91666666666667 0.44113111585429 150.360 > 139 144 Sm 0.62588634835263 0.91666666666667 0.44113111585429 150.360 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4228198 0.0000000 0.0000000 0.0000000 2.4855421 0.0000000 0.0000000 0.0000000 2.3832422 -------------------------- Born effective charges -------------------------- 1 F -1.0280026 0.0000000 0.2714410 0.0000000 -0.9767273 0.0000000 0.2897467 0.0000000 -1.5426815 2 F -1.0280026 0.0000000 0.2714410 0.0000000 -0.9767273 0.0000000 0.2897467 0.0000000 -1.5426815 3 F -1.0280026 0.0000000 -0.2714410 0.0000000 -0.9767273 0.0000000 -0.2897467 0.0000000 -1.5426815 4 F -1.0280026 0.0000000 -0.2714410 0.0000000 -0.9767273 0.0000000 -0.2897467 0.0000000 -1.5426815 5 F -0.9882809 0.0000000 -0.2117485 0.0000000 -1.5793333 0.0000000 -0.2087928 0.0000000 -1.1205130 6 F -0.9882809 0.0000000 -0.2117485 0.0000000 -1.5793333 0.0000000 -0.2087928 0.0000000 -1.1205130 7 F -0.9882809 0.0000000 0.2117485 0.0000000 -1.5793333 0.0000000 0.2087928 0.0000000 -1.1205130 8 F -0.9882809 0.0000000 0.2117485 0.0000000 -1.5793333 0.0000000 0.2087928 0.0000000 -1.1205130 9 F -1.4009490 0.0000000 0.2912657 0.0000000 -1.3079498 0.0000000 0.2828674 0.0000000 -0.9523899 10 F -1.4009490 0.0000000 0.2912657 0.0000000 -1.3079498 0.0000000 0.2828674 0.0000000 -0.9523899 11 F -1.4009490 0.0000000 -0.2912657 0.0000000 -1.3079498 0.0000000 -0.2828674 0.0000000 -0.9523899 12 F -1.4009490 0.0000000 -0.2912657 0.0000000 -1.3079498 0.0000000 -0.2828674 0.0000000 -0.9523899 13 F -1.4094874 0.0000000 0.3075370 0.0000000 -1.3146513 0.0000000 0.2855557 0.0000000 -0.9880173 14 F -1.4094874 0.0000000 0.3075370 0.0000000 -1.3146513 0.0000000 0.2855557 0.0000000 -0.9880173 15 F -1.4094874 0.0000000 -0.3075370 0.0000000 -1.3146513 0.0000000 -0.2855557 0.0000000 -0.9880173 16 F -1.4094874 0.0000000 -0.3075370 0.0000000 -1.3146513 0.0000000 -0.2855557 0.0000000 -0.9880173 17 K 1.2258385 0.0000000 0.0484491 0.0000000 1.0887799 0.0000000 0.0862653 0.0000000 1.3805412 18 K 1.2258385 0.0000000 0.0484491 0.0000000 1.0887799 0.0000000 0.0862653 0.0000000 1.3805412 19 K 1.2258385 0.0000000 -0.0484491 0.0000000 1.0887799 0.0000000 -0.0862653 0.0000000 1.3805412 20 K 1.2258385 0.0000000 -0.0484491 0.0000000 1.0887799 0.0000000 -0.0862653 0.0000000 1.3805412 21 Sm 3.6008815 0.0000000 -0.0904402 0.0000000 4.0898819 0.0000000 -0.1006248 0.0000000 3.2230605 22 Sm 3.6008815 0.0000000 -0.0904402 0.0000000 4.0898819 0.0000000 -0.1006248 0.0000000 3.2230605 23 Sm 3.6008815 0.0000000 0.0904402 0.0000000 4.0898819 0.0000000 0.1006248 0.0000000 3.2230605 24 Sm 3.6008815 0.0000000 0.0904402 0.0000000 4.0898819 0.0000000 0.1006248 0.0000000 3.2230605 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 14 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 305, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.101 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.745 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 6.057 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.393 ( 0.000 0.000 0.000) 0.000 6.490 ( 0.000 0.000 0.000) 0.000 6.584 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.070 ( 0.000 0.000 0.000) 0.000 7.236 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.487 ( 0.000 0.000 0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 7.944 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 8.777 ( 0.000 0.000 0.000) 0.000 8.795 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 9.023 ( 0.000 0.000 0.000) 0.000 9.141 ( 0.000 0.000 0.000) 0.000 9.158 ( 0.000 0.000 0.000) 0.000 9.162 ( 0.000 0.000 0.000) 0.000 9.230 ( 0.000 0.000 0.000) 0.000 9.438 ( 0.000 0.000 0.000) 0.000 9.491 ( 0.000 0.000 0.000) 0.000 9.520 ( 0.000 0.000 0.000) 0.000 9.686 ( 0.000 0.000 0.000) 0.000 9.920 ( 0.000 0.000 0.000) 0.000 10.062 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.112 ( 0.000 0.000 0.000) 0.000 10.356 ( 0.000 0.000 0.000) 0.000 10.737 ( 0.000 0.000 0.000) 0.000 10.789 ( 0.000 0.000 0.000) 0.000 12.227 ( 0.000 0.000 0.000) 0.000 12.507 ( 0.000 0.000 0.000) 0.000 12.604 ( 0.000 0.000 0.000) 0.000 12.701 ( 0.000 0.000 0.000) 0.000 12.756 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 26.364 0.000 0.000) 26.364 0.544 ( 26.427 0.000 0.000) 26.427 0.963 ( 46.430 0.000 0.000) 46.430 1.210 ( 9.962 0.000 0.000) 9.962 1.437 ( 12.362 0.000 0.000) 12.362 1.793 ( -14.651 0.000 0.000) 14.651 1.963 ( 1.059 0.000 0.000) 1.059 2.568 ( 1.568 0.000 0.000) 1.568 2.694 ( -5.192 0.000 0.000) 5.192 2.768 ( -0.795 0.000 0.000) 0.795 2.804 ( 17.239 0.000 0.000) 17.239 2.950 ( -0.822 0.000 0.000) 0.822 3.101 ( 1.204 0.000 0.000) 1.204 3.153 ( -2.972 0.000 0.000) 2.972 3.266 ( -9.695 0.000 0.000) 9.695 3.542 ( 0.883 0.000 0.000) 0.883 3.961 ( -10.762 0.000 0.000) 10.762 4.321 ( -11.686 0.000 0.000) 11.686 4.368 ( 6.821 0.000 0.000) 6.821 4.931 ( -18.534 0.000 0.000) 18.534 4.948 ( 9.683 0.000 0.000) 9.683 5.242 ( -10.748 0.000 0.000) 10.748 5.640 ( -0.906 0.000 0.000) 0.906 5.648 ( -9.818 0.000 0.000) 9.818 5.815 ( 0.830 0.000 0.000) 0.830 5.858 ( 4.809 0.000 0.000) 4.809 5.987 ( -6.954 0.000 0.000) 6.954 6.158 ( -1.639 0.000 0.000) 1.639 6.182 ( -1.587 0.000 0.000) 1.587 6.220 ( 0.215 0.000 0.000) 0.215 6.353 ( 2.775 0.000 0.000) 2.775 6.385 ( -0.750 0.000 0.000) 0.750 6.411 ( -12.249 0.000 0.000) 12.249 6.499 ( 0.859 0.000 0.000) 0.859 6.848 ( -0.276 0.000 0.000) 0.276 6.991 ( 2.767 0.000 0.000) 2.767 7.059 ( 8.582 0.000 0.000) 8.582 7.088 ( 1.768 0.000 0.000) 1.768 7.175 ( -5.378 0.000 0.000) 5.378 7.187 ( 10.264 0.000 0.000) 10.264 7.194 ( -5.116 0.000 0.000) 5.116 7.531 ( 3.145 0.000 0.000) 3.145 7.729 ( 3.105 0.000 0.000) 3.105 7.994 ( 4.394 0.000 0.000) 4.394 8.036 ( 3.781 0.000 0.000) 3.781 8.252 ( 1.911 0.000 0.000) 1.911 8.684 ( -0.707 0.000 0.000) 0.707 8.699 ( 2.261 0.000 0.000) 2.261 8.861 ( 5.495 0.000 0.000) 5.495 8.943 ( -0.394 0.000 0.000) 0.394 8.980 ( -0.372 0.000 0.000) 0.372 9.016 ( -0.665 0.000 0.000) 0.665 9.063 ( -8.435 0.000 0.000) 8.435 9.121 ( -5.713 0.000 0.000) 5.713 9.143 ( 0.126 0.000 0.000) 0.126 9.161 ( -0.028 0.000 0.000) 0.028 9.449 ( -2.541 0.000 0.000) 2.541 9.634 ( 12.546 0.000 0.000) 12.546 9.710 ( 12.819 0.000 0.000) 12.819 9.921 ( 0.079 0.000 0.000) 0.079 10.068 ( 0.564 0.000 0.000) 0.564 10.070 ( 0.539 0.000 0.000) 0.539 10.106 ( -0.434 0.000 0.000) 0.434 10.395 ( 4.101 0.000 0.000) 4.101 10.716 ( -1.948 0.000 0.000) 1.948 10.825 ( 3.057 0.000 0.000) 3.057 12.014 ( -16.231 0.000 0.000) 16.231 12.340 ( -12.936 0.000 0.000) 12.936 12.582 ( 2.986 0.000 0.000) 2.986 12.605 ( 0.347 0.000 0.000) 0.347 12.787 ( 2.624 0.000 0.000) 2.624 12.792 ( 3.789 0.000 0.000) 3.789 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 24.979 0.000 0.000) 24.979 1.066 ( 24.811 0.000 0.000) 24.811 1.464 ( 13.949 0.000 0.000) 13.949 1.588 ( -2.544 0.000 0.000) 2.544 1.731 ( 14.693 0.000 0.000) 14.693 1.866 ( 39.630 0.000 0.000) 39.630 1.988 ( 1.153 0.000 0.000) 1.153 2.539 ( -9.883 0.000 0.000) 9.883 2.615 ( 2.929 0.000 0.000) 2.929 2.753 ( -0.596 0.000 0.000) 0.596 2.916 ( -11.094 0.000 0.000) 11.094 2.919 ( -2.339 0.000 0.000) 2.339 3.066 ( -5.536 0.000 0.000) 5.536 3.135 ( 2.531 0.000 0.000) 2.531 3.234 ( 10.616 0.000 0.000) 10.616 3.532 ( 1.003 0.000 0.000) 1.003 3.715 ( -13.665 0.000 0.000) 13.665 4.177 ( -5.073 0.000 0.000) 5.073 4.482 ( 3.830 0.000 0.000) 3.830 4.557 ( -17.330 0.000 0.000) 17.330 4.841 ( -9.897 0.000 0.000) 9.897 5.312 ( 9.529 0.000 0.000) 9.529 5.328 ( -18.529 0.000 0.000) 18.529 5.563 ( -5.001 0.000 0.000) 5.001 5.791 ( -7.020 0.000 0.000) 7.020 5.844 ( -2.958 0.000 0.000) 2.958 5.912 ( -0.068 0.000 0.000) 0.068 6.118 ( -2.024 0.000 0.000) 2.024 6.130 ( -15.221 0.000 0.000) 15.221 6.141 ( -2.262 0.000 0.000) 2.262 6.236 ( 1.187 0.000 0.000) 1.187 6.364 ( -1.269 0.000 0.000) 1.269 6.421 ( 3.830 0.000 0.000) 3.830 6.524 ( 1.487 0.000 0.000) 1.487 6.891 ( 4.425 0.000 0.000) 4.425 7.046 ( -6.764 0.000 0.000) 6.764 7.066 ( -6.882 0.000 0.000) 6.882 7.083 ( 5.254 0.000 0.000) 5.254 7.139 ( 3.115 0.000 0.000) 3.115 7.210 ( 5.766 0.000 0.000) 5.766 7.352 ( 4.778 0.000 0.000) 4.778 7.575 ( 0.738 0.000 0.000) 0.738 7.854 ( 9.488 0.000 0.000) 9.488 8.095 ( 5.029 0.000 0.000) 5.029 8.123 ( 4.323 0.000 0.000) 4.323 8.295 ( 1.890 0.000 0.000) 1.890 8.667 ( -0.770 0.000 0.000) 0.770 8.730 ( 0.703 0.000 0.000) 0.703 8.892 ( -3.012 0.000 0.000) 3.012 8.902 ( -3.982 0.000 0.000) 3.982 8.970 ( -0.488 0.000 0.000) 0.488 8.974 ( 0.042 0.000 0.000) 0.042 8.998 ( -1.027 0.000 0.000) 1.027 9.115 ( 2.820 0.000 0.000) 2.820 9.146 ( 0.199 0.000 0.000) 0.199 9.160 ( -0.083 0.000 0.000) 0.083 9.433 ( 2.943 0.000 0.000) 2.943 9.832 ( 4.014 0.000 0.000) 4.014 9.946 ( 4.501 0.000 0.000) 4.501 9.954 ( 10.296 0.000 0.000) 10.296 10.082 ( 0.784 0.000 0.000) 0.784 10.084 ( 0.745 0.000 0.000) 0.745 10.105 ( 0.775 0.000 0.000) 0.775 10.538 ( 10.157 0.000 0.000) 10.157 10.663 ( -3.129 0.000 0.000) 3.129 10.890 ( 2.989 0.000 0.000) 2.989 11.635 ( -20.227 0.000 0.000) 20.227 11.981 ( -20.091 0.000 0.000) 20.091 12.624 ( 1.492 0.000 0.000) 1.492 12.642 ( 2.503 0.000 0.000) 2.503 12.847 ( 2.964 0.000 0.000) 2.964 12.871 ( 3.335 0.000 0.000) 3.335 ======================= Grid point 3 (4/80) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 22.099 0.000 0.000) 22.099 1.550 ( 22.338 0.000 0.000) 22.338 1.660 ( 8.596 0.000 0.000) 8.596 1.737 ( 12.026 0.000 0.000) 12.026 1.953 ( 5.626 0.000 0.000) 5.626 1.995 ( -0.925 0.000 0.000) 0.925 2.294 ( -14.267 0.000 0.000) 14.267 2.383 ( -3.114 0.000 0.000) 3.114 2.684 ( 3.816 0.000 0.000) 3.816 2.753 ( 0.916 0.000 0.000) 0.916 2.771 ( 11.312 0.000 0.000) 11.312 2.858 ( -3.412 0.000 0.000) 3.412 2.939 ( -6.511 0.000 0.000) 6.511 3.232 ( 6.455 0.000 0.000) 6.455 3.427 ( -12.352 0.000 0.000) 12.352 3.479 ( 13.968 0.000 0.000) 13.968 3.669 ( 12.158 0.000 0.000) 12.158 3.973 ( -14.657 0.000 0.000) 14.657 4.205 ( -17.032 0.000 0.000) 17.032 4.470 ( -9.538 0.000 0.000) 9.538 4.802 ( 5.270 0.000 0.000) 5.270 4.994 ( -10.584 0.000 0.000) 10.584 5.398 ( -1.643 0.000 0.000) 1.643 5.558 ( 6.040 0.000 0.000) 6.040 5.633 ( -8.715 0.000 0.000) 8.715 5.786 ( -3.797 0.000 0.000) 3.797 5.848 ( -9.698 0.000 0.000) 9.698 5.866 ( -3.837 0.000 0.000) 3.837 6.084 ( -1.119 0.000 0.000) 1.119 6.098 ( -1.726 0.000 0.000) 1.726 6.265 ( 1.631 0.000 0.000) 1.631 6.334 ( -1.611 0.000 0.000) 1.611 6.502 ( 3.897 0.000 0.000) 3.897 6.555 ( 1.389 0.000 0.000) 1.389 6.922 ( -4.952 0.000 0.000) 4.952 6.935 ( -5.545 0.000 0.000) 5.545 7.005 ( 6.137 0.000 0.000) 6.137 7.157 ( 1.031 0.000 0.000) 1.031 7.208 ( 3.482 0.000 0.000) 3.482 7.286 ( 1.292 0.000 0.000) 1.292 7.411 ( 3.035 0.000 0.000) 3.035 7.560 ( -2.106 0.000 0.000) 2.106 8.074 ( 10.601 0.000 0.000) 10.601 8.182 ( 3.229 0.000 0.000) 3.229 8.196 ( 2.540 0.000 0.000) 2.540 8.309 ( -0.917 0.000 0.000) 0.917 8.666 ( 0.843 0.000 0.000) 0.843 8.731 ( -0.560 0.000 0.000) 0.560 8.821 ( -2.987 0.000 0.000) 2.987 8.833 ( -2.566 0.000 0.000) 2.566 8.962 ( -0.212 0.000 0.000) 0.212 8.977 ( -0.914 0.000 0.000) 0.914 9.000 ( 1.968 0.000 0.000) 1.968 9.107 ( -2.699 0.000 0.000) 2.699 9.150 ( 0.217 0.000 0.000) 0.217 9.158 ( -0.147 0.000 0.000) 0.147 9.576 ( 8.757 0.000 0.000) 8.757 9.816 ( -3.240 0.000 0.000) 3.240 10.066 ( 4.793 0.000 0.000) 4.793 10.094 ( 2.768 0.000 0.000) 2.768 10.097 ( 0.551 0.000 0.000) 0.551 10.098 ( 0.509 0.000 0.000) 0.509 10.186 ( 8.671 0.000 0.000) 8.671 10.580 ( -5.791 0.000 0.000) 5.791 10.791 ( 13.362 0.000 0.000) 13.362 10.954 ( 4.659 0.000 0.000) 4.659 11.237 ( -17.372 0.000 0.000) 17.372 11.572 ( -19.739 0.000 0.000) 19.739 12.658 ( 1.635 0.000 0.000) 1.635 12.679 ( 1.046 0.000 0.000) 1.046 12.899 ( 2.008 0.000 0.000) 2.008 12.917 ( 1.248 0.000 0.000) 1.248 ======================= Grid point 4 (5/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -3.031 0.000 0.000) 3.031 1.830 ( 3.031 0.000 0.000) 3.031 1.919 ( -2.520 0.000 0.000) 2.520 1.919 ( 2.520 0.000 0.000) 2.520 1.967 ( -14.804 0.000 0.000) 14.804 1.967 ( 14.804 0.000 0.000) 14.804 2.076 ( -15.770 0.000 0.000) 15.770 2.076 ( 15.770 0.000 0.000) 15.770 2.760 ( -2.867 0.000 0.000) 2.867 2.760 ( 2.867 0.000 0.000) 2.867 2.828 ( -3.263 0.000 0.000) 3.263 2.828 ( 3.263 0.000 0.000) 3.263 3.090 ( -14.195 0.000 0.000) 14.195 3.090 ( 14.195 0.000 0.000) 14.195 3.541 ( -14.682 0.000 0.000) 14.682 3.541 ( 14.682 0.000 0.000) 14.682 3.870 ( -15.063 0.000 0.000) 15.063 3.870 ( 15.063 0.000 0.000) 15.063 4.080 ( -23.445 0.000 0.000) 23.445 4.080 ( 23.445 0.000 0.000) 23.445 4.907 ( -2.715 0.000 0.000) 2.715 4.907 ( 2.715 0.000 0.000) 2.715 5.436 ( -7.441 0.000 0.000) 7.441 5.436 ( 7.441 0.000 0.000) 7.441 5.688 ( -5.832 0.000 0.000) 5.832 5.688 ( 5.832 0.000 0.000) 5.832 5.793 ( -2.222 0.000 0.000) 2.222 5.793 ( 2.222 0.000 0.000) 2.222 6.076 ( -0.361 0.000 0.000) 0.361 6.076 ( 0.361 0.000 0.000) 0.361 6.300 ( -1.751 0.000 0.000) 1.751 6.300 ( 1.751 0.000 0.000) 1.751 6.561 ( -1.362 0.000 0.000) 1.362 6.561 ( 1.362 0.000 0.000) 1.362 6.869 ( -0.315 0.000 0.000) 0.315 6.869 ( 0.315 0.000 0.000) 0.315 7.117 ( -4.378 0.000 0.000) 4.378 7.117 ( 4.378 0.000 0.000) 4.378 7.269 ( -2.259 0.000 0.000) 2.259 7.269 ( 2.259 0.000 0.000) 2.259 7.494 ( -4.206 0.000 0.000) 4.206 7.494 ( 4.206 0.000 0.000) 4.206 8.219 ( -0.340 0.000 0.000) 0.340 8.219 ( 0.340 0.000 0.000) 0.340 8.244 ( -5.771 0.000 0.000) 5.771 8.244 ( 5.771 0.000 0.000) 5.771 8.700 ( -2.228 0.000 0.000) 2.228 8.700 ( 2.228 0.000 0.000) 2.228 8.798 ( -0.720 0.000 0.000) 0.720 8.798 ( 0.720 0.000 0.000) 0.720 8.964 ( -0.380 0.000 0.000) 0.380 8.964 ( 0.380 0.000 0.000) 0.380 9.048 ( -2.730 0.000 0.000) 2.730 9.048 ( 2.730 0.000 0.000) 2.730 9.154 ( -0.196 0.000 0.000) 0.196 9.154 ( 0.196 0.000 0.000) 0.196 9.725 ( -5.729 0.000 0.000) 5.729 9.725 ( 5.729 0.000 0.000) 5.729 10.103 ( -0.021 0.000 0.000) 0.021 10.103 ( 0.021 0.000 0.000) 0.021 10.117 ( -0.414 0.000 0.000) 0.414 10.117 ( 0.414 0.000 0.000) 0.414 10.403 ( -11.167 0.000 0.000) 11.167 10.403 ( 11.167 0.000 0.000) 11.167 10.982 ( -7.953 0.000 0.000) 7.953 10.982 ( 7.953 0.000 0.000) 7.953 11.192 ( -17.230 0.000 0.000) 17.230 11.192 ( 17.230 0.000 0.000) 17.230 12.683 ( -0.635 0.000 0.000) 0.635 12.683 ( 0.635 0.000 0.000) 0.635 12.924 ( -0.499 0.000 0.000) 0.499 12.924 ( 0.499 0.000 0.000) 0.499 ======================= Grid point 9 (6/80) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 0.000 23.305 0.000) 23.305 0.507 ( 0.000 26.579 0.000) 26.579 1.014 ( 0.000 51.261 0.000) 51.261 1.386 ( 0.000 8.703 0.000) 8.703 1.424 ( 0.000 28.116 0.000) 28.116 1.801 ( 0.000 -4.705 0.000) 4.705 2.362 ( 0.000 22.978 0.000) 22.978 2.518 ( 0.000 0.442 0.000) 0.442 2.784 ( 0.000 13.721 0.000) 13.721 2.825 ( 0.000 7.686 0.000) 7.686 2.840 ( 0.000 5.847 0.000) 5.847 3.114 ( 0.000 15.351 0.000) 15.351 3.131 ( 0.000 4.772 0.000) 4.772 3.354 ( 0.000 16.225 0.000) 16.225 3.439 ( 0.000 1.689 0.000) 1.689 3.510 ( 0.000 4.250 0.000) 4.250 4.117 ( 0.000 -0.230 0.000) 0.230 4.298 ( 0.000 5.233 0.000) 5.233 4.590 ( 0.000 -1.686 0.000) 1.686 4.627 ( 0.000 -2.381 0.000) 2.381 5.055 ( 0.000 -10.411 0.000) 10.411 5.440 ( 0.000 0.321 0.000) 0.321 5.446 ( 0.000 -3.594 0.000) 3.594 5.636 ( 0.000 -1.456 0.000) 1.456 5.745 ( 0.000 -4.777 0.000) 4.777 5.751 ( 0.000 -8.471 0.000) 8.471 5.998 ( 0.000 -5.400 0.000) 5.400 6.188 ( 0.000 0.013 0.000) 0.013 6.284 ( 0.000 -2.598 0.000) 2.598 6.294 ( 0.000 -2.935 0.000) 2.935 6.325 ( 0.000 0.365 0.000) 0.365 6.328 ( 0.000 -12.933 0.000) 12.933 6.715 ( 0.000 17.424 0.000) 17.424 6.896 ( 0.000 0.333 0.000) 0.333 6.941 ( 0.000 2.038 0.000) 2.038 6.987 ( 0.000 -3.457 0.000) 3.457 7.064 ( 0.000 5.349 0.000) 5.349 7.069 ( 0.000 3.794 0.000) 3.794 7.107 ( 0.000 3.727 0.000) 3.727 7.146 ( 0.000 -8.354 0.000) 8.354 7.192 ( 0.000 -4.353 0.000) 4.353 7.552 ( 0.000 5.011 0.000) 5.011 7.722 ( 0.000 2.015 0.000) 2.015 7.854 ( 0.000 -7.875 0.000) 7.875 7.894 ( 0.000 -8.619 0.000) 8.619 8.212 ( 0.000 -1.970 0.000) 1.970 8.559 ( 0.000 2.097 0.000) 2.097 8.647 ( 0.000 -2.085 0.000) 2.085 8.809 ( 0.000 -1.184 0.000) 1.184 8.833 ( 0.000 -1.771 0.000) 1.771 8.917 ( 0.000 -6.016 0.000) 6.016 8.947 ( 0.000 -9.593 0.000) 9.593 8.969 ( 0.000 -7.056 0.000) 7.056 9.227 ( 0.000 -7.717 0.000) 7.717 9.233 ( 0.000 0.079 0.000) 0.079 9.444 ( 0.000 0.587 0.000) 0.587 9.482 ( 0.000 0.834 0.000) 0.834 9.502 ( 0.000 1.140 0.000) 1.140 9.737 ( 0.000 5.673 0.000) 5.673 9.886 ( 0.000 -3.512 0.000) 3.512 10.129 ( 0.000 3.185 0.000) 3.185 10.170 ( 0.000 8.924 0.000) 8.924 10.201 ( 0.000 9.397 0.000) 9.397 10.381 ( 0.000 1.901 0.000) 1.901 10.731 ( 0.000 -0.565 0.000) 0.565 10.863 ( 0.000 6.756 0.000) 6.756 12.070 ( 0.000 -10.416 0.000) 10.416 12.349 ( 0.000 -15.377 0.000) 15.377 12.364 ( 0.000 4.619 0.000) 4.619 12.575 ( 0.000 -2.567 0.000) 2.567 12.689 ( 0.000 -1.178 0.000) 1.178 12.743 ( 0.000 -1.346 0.000) 1.346 ======================= Grid point 10 (7/80) ======================= q-point: ( 0.12 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 19.838 14.568 0.000) 24.612 0.779 ( 20.679 17.268 0.000) 26.941 1.360 ( 29.361 36.054 0.000) 46.497 1.445 ( 7.179 14.338 0.000) 16.035 1.565 ( 11.405 18.924 0.000) 22.095 1.720 ( -6.628 -1.151 0.000) 6.727 2.215 ( -4.466 18.002 0.000) 18.548 2.672 ( 2.506 7.745 0.000) 8.140 2.775 ( -4.166 7.422 0.000) 8.511 2.839 ( -0.979 6.861 0.000) 6.930 2.895 ( 13.162 9.852 0.000) 16.441 3.081 ( -1.729 11.795 0.000) 11.921 3.168 ( 2.114 8.396 0.000) 8.658 3.283 ( -7.959 5.027 0.000) 9.414 3.333 ( -4.225 14.951 0.000) 15.537 3.565 ( 0.467 2.561 0.000) 2.603 3.978 ( -10.409 1.674 0.000) 10.543 4.299 ( -10.729 -1.534 0.000) 10.838 4.393 ( 5.986 2.787 0.000) 6.603 4.871 ( -14.931 -5.393 0.000) 15.875 4.923 ( 9.752 -2.118 0.000) 9.979 5.197 ( -9.909 -2.783 0.000) 10.293 5.552 ( -9.593 -7.552 0.000) 12.209 5.564 ( 0.563 -5.060 0.000) 5.091 5.754 ( -0.546 -5.787 0.000) 5.813 5.810 ( 4.911 -3.221 0.000) 5.873 5.917 ( -5.781 -4.638 0.000) 7.412 6.174 ( -3.393 -0.895 0.000) 3.509 6.224 ( -4.226 -3.685 0.000) 5.607 6.273 ( -4.553 -1.589 0.000) 4.822 6.320 ( 2.133 -1.105 0.000) 2.402 6.380 ( 3.519 -8.516 0.000) 9.215 6.541 ( -8.562 12.948 0.000) 15.523 6.648 ( -14.968 12.549 0.000) 19.532 6.899 ( -5.568 2.479 0.000) 6.095 7.002 ( 0.937 -4.430 0.000) 4.528 7.038 ( 2.289 4.329 0.000) 4.897 7.119 ( 0.705 3.422 0.000) 3.494 7.165 ( 0.095 -2.095 0.000) 2.097 7.172 ( 3.715 -0.159 0.000) 3.719 7.216 ( 8.466 2.188 0.000) 8.744 7.580 ( 0.969 3.769 0.000) 3.892 7.736 ( 2.304 0.620 0.000) 2.386 7.902 ( 3.108 -10.713 0.000) 11.155 7.920 ( 5.493 -6.229 0.000) 8.305 8.232 ( 1.745 -1.997 0.000) 2.652 8.610 ( 2.129 -4.689 0.000) 5.150 8.665 ( 1.432 -4.688 0.000) 4.902 8.849 ( 2.223 -3.700 0.000) 4.316 8.891 ( -3.912 -4.274 0.000) 5.794 8.905 ( 1.087 1.379 0.000) 1.756 8.922 ( 0.140 -2.803 0.000) 2.807 8.940 ( 2.866 -10.153 0.000) 10.550 9.195 ( -1.556 -3.197 0.000) 3.556 9.200 ( -3.422 2.712 0.000) 4.366 9.407 ( -11.058 12.333 0.000) 16.565 9.450 ( -2.482 1.028 0.000) 2.686 9.551 ( 7.113 -4.951 0.000) 8.666 9.599 ( 7.144 -5.976 0.000) 9.314 9.994 ( 0.007 5.346 0.000) 5.346 10.141 ( 0.461 3.105 0.000) 3.139 10.194 ( 4.227 9.200 0.000) 10.124 10.225 ( 3.159 11.227 0.000) 11.663 10.418 ( 3.689 1.839 0.000) 4.122 10.728 ( -1.536 0.501 0.000) 1.615 10.884 ( 1.864 5.468 0.000) 5.777 11.906 ( -14.169 -9.390 0.000) 16.998 12.210 ( -11.403 -12.758 0.000) 17.111 12.523 ( 6.245 -3.459 0.000) 7.139 12.579 ( 0.522 -2.373 0.000) 2.430 12.732 ( 4.152 -3.424 0.000) 5.382 12.768 ( 2.141 -1.873 0.000) 2.844 ======================= Grid point 11 (8/80) ======================= q-point: ( 0.25 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 22.527 7.975 0.000) 23.897 1.228 ( 22.496 12.956 0.000) 25.960 1.613 ( -0.157 4.351 0.000) 4.354 1.656 ( 12.466 13.651 0.000) 18.487 1.828 ( 13.100 13.428 0.000) 18.759 2.025 ( 28.021 16.920 0.000) 32.733 2.206 ( 5.153 18.975 0.000) 19.662 2.647 ( -8.579 9.867 0.000) 13.075 2.672 ( -2.004 4.348 0.000) 4.788 2.811 ( -1.200 5.599 0.000) 5.726 3.020 ( -6.663 11.681 0.000) 13.448 3.040 ( -2.630 11.909 0.000) 12.196 3.216 ( 2.942 8.621 0.000) 9.109 3.228 ( -6.350 15.630 0.000) 16.871 3.255 ( 10.300 2.222 0.000) 10.537 3.548 ( 0.795 1.676 0.000) 1.855 3.730 ( -13.928 1.656 0.000) 14.026 4.171 ( -4.822 -0.524 0.000) 4.850 4.491 ( 0.770 0.405 0.000) 0.870 4.550 ( -13.344 -0.199 0.000) 13.346 4.827 ( -9.242 -0.706 0.000) 9.269 5.267 ( 9.256 -4.549 0.000) 10.314 5.273 ( -16.342 -4.983 0.000) 17.084 5.519 ( -3.544 -3.682 0.000) 5.110 5.684 ( -5.680 -9.037 0.000) 10.674 5.825 ( -3.495 -1.810 0.000) 3.936 5.866 ( 0.043 -3.846 0.000) 3.846 6.029 ( -10.896 -6.526 0.000) 12.701 6.143 ( -3.262 -1.584 0.000) 3.626 6.162 ( -4.807 2.317 0.000) 5.336 6.345 ( 0.070 5.172 0.000) 5.173 6.443 ( 0.911 0.282 0.000) 0.954 6.470 ( 1.087 6.008 0.000) 6.106 6.489 ( -1.453 2.409 0.000) 2.813 6.833 ( -1.391 -4.008 0.000) 4.243 6.945 ( -5.084 -7.941 0.000) 9.429 7.113 ( 4.751 2.894 0.000) 5.563 7.118 ( -1.133 3.662 0.000) 3.834 7.169 ( 1.526 2.097 0.000) 2.593 7.250 ( 4.270 1.893 0.000) 4.671 7.367 ( 3.620 1.171 0.000) 3.805 7.586 ( -0.532 0.911 0.000) 1.055 7.846 ( 8.439 -0.450 0.000) 8.451 7.992 ( 4.825 -11.185 0.000) 12.181 8.044 ( 6.345 -4.618 0.000) 7.848 8.275 ( 2.204 -2.109 0.000) 3.051 8.635 ( 0.701 -4.401 0.000) 4.457 8.691 ( 0.902 -7.030 0.000) 7.088 8.791 ( -4.062 -6.221 0.000) 7.429 8.826 ( -4.889 -1.942 0.000) 5.260 8.908 ( 2.267 -1.437 0.000) 2.684 8.921 ( 0.446 -4.586 0.000) 4.608 9.081 ( 4.296 -3.221 0.000) 5.369 9.107 ( -4.447 5.525 0.000) 7.092 9.181 ( -0.238 1.178 0.000) 1.202 9.295 ( -2.586 8.513 0.000) 8.897 9.438 ( 3.493 0.718 0.000) 3.566 9.688 ( 5.441 -11.881 0.000) 13.068 9.732 ( 5.472 -11.894 0.000) 13.093 9.954 ( -2.920 6.379 0.000) 7.015 10.146 ( 0.695 3.652 0.000) 3.717 10.301 ( 5.257 12.416 0.000) 13.483 10.315 ( 4.362 13.094 0.000) 13.801 10.549 ( 9.685 0.924 0.000) 9.729 10.673 ( -3.627 0.804 0.000) 3.715 10.927 ( 2.123 3.401 0.000) 4.010 11.558 ( -18.866 -7.523 0.000) 20.310 11.902 ( -17.559 -7.912 0.000) 19.259 12.600 ( 1.500 -2.234 0.000) 2.690 12.605 ( 2.708 -3.198 0.000) 4.190 12.817 ( 2.452 -2.891 0.000) 3.791 12.820 ( 3.656 -4.572 0.000) 5.854 ======================= Grid point 12 (9/80) ======================= q-point: ( 0.38 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 20.501 4.255 0.000) 20.938 1.648 ( 16.149 7.760 0.000) 17.917 1.734 ( 13.262 9.305 0.000) 16.201 1.899 ( 9.853 11.465 0.000) 15.117 2.040 ( 6.825 12.314 0.000) 14.078 2.177 ( 0.213 16.310 0.000) 16.312 2.428 ( -12.784 12.309 0.000) 17.747 2.433 ( -8.986 4.889 0.000) 10.230 2.681 ( 11.514 3.738 0.000) 12.106 2.807 ( 1.164 5.043 0.000) 5.175 2.960 ( 4.268 16.206 0.000) 16.759 2.972 ( -3.741 10.897 0.000) 11.521 3.079 ( -7.628 12.830 0.000) 14.927 3.306 ( 4.769 7.794 0.000) 9.138 3.443 ( -11.254 2.235 0.000) 11.474 3.498 ( 13.457 1.874 0.000) 13.587 3.692 ( 13.732 2.426 0.000) 13.944 3.973 ( -14.104 0.565 0.000) 14.115 4.202 ( -16.520 -0.296 0.000) 16.523 4.488 ( -9.196 1.755 0.000) 9.362 4.790 ( 4.703 -0.875 0.000) 4.784 4.972 ( -9.816 -1.965 0.000) 10.010 5.370 ( -0.033 -3.056 0.000) 3.056 5.517 ( 5.283 -3.408 0.000) 6.287 5.566 ( -6.427 -6.581 0.000) 9.199 5.745 ( -4.496 -4.067 0.000) 6.063 5.803 ( -8.543 -3.325 0.000) 9.167 5.821 ( -3.814 -4.385 0.000) 5.812 6.093 ( -2.101 0.892 0.000) 2.283 6.093 ( -1.735 -0.469 0.000) 1.797 6.353 ( 0.922 7.076 0.000) 7.136 6.414 ( -1.757 6.851 0.000) 7.073 6.521 ( 2.867 1.968 0.000) 3.478 6.525 ( 2.432 -3.120 0.000) 3.955 6.809 ( -1.538 -6.917 0.000) 7.086 6.842 ( -4.458 -7.028 0.000) 8.323 7.119 ( 1.885 5.944 0.000) 6.236 7.188 ( 1.804 2.366 0.000) 2.975 7.218 ( 2.956 0.512 0.000) 3.000 7.313 ( 0.610 2.065 0.000) 2.153 7.401 ( 2.310 -1.224 0.000) 2.614 7.554 ( -2.587 -0.657 0.000) 2.669 8.017 ( 6.598 -4.491 0.000) 7.981 8.074 ( 2.806 -10.026 0.000) 10.411 8.175 ( 6.471 -1.560 0.000) 6.657 8.307 ( 0.602 -1.237 0.000) 1.376 8.645 ( 0.492 -3.119 0.000) 3.158 8.700 ( -0.114 -8.794 0.000) 8.795 8.729 ( -1.983 -6.825 0.000) 7.108 8.735 ( -3.691 -1.306 0.000) 3.915 8.936 ( 1.037 -2.231 0.000) 2.461 8.945 ( 1.171 -2.605 0.000) 2.856 9.049 ( -0.987 4.128 0.000) 4.244 9.095 ( -1.415 -1.685 0.000) 2.201 9.166 ( -0.633 0.846 0.000) 1.057 9.243 ( -2.911 6.175 0.000) 6.827 9.588 ( 8.687 -0.214 0.000) 8.689 9.759 ( 1.320 -15.427 0.000) 15.484 9.817 ( 2.891 -11.798 0.000) 12.147 9.891 ( -2.884 6.163 0.000) 6.804 10.203 ( 5.793 2.160 0.000) 6.182 10.382 ( 2.332 12.896 0.000) 13.105 10.385 ( 2.724 13.693 0.000) 13.961 10.574 ( -6.759 -0.478 0.000) 6.775 10.795 ( 13.070 0.165 0.000) 13.072 10.977 ( 3.813 2.072 0.000) 4.340 11.197 ( -15.121 -4.146 0.000) 15.679 11.535 ( -18.120 -3.800 0.000) 18.514 12.632 ( 1.453 -2.406 0.000) 2.810 12.645 ( 1.184 -3.126 0.000) 3.342 12.860 ( 1.679 -3.776 0.000) 4.133 12.871 ( 1.422 -4.515 0.000) 4.734 ======================= Grid point 13 (10/80) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -1.928 3.400 0.000) 3.909 1.846 ( 1.928 3.400 0.000) 3.909 2.014 ( -1.970 5.862 0.000) 6.184 2.014 ( 1.970 5.862 0.000) 6.184 2.145 ( -4.014 16.779 0.000) 17.253 2.145 ( 4.014 16.779 0.000) 17.253 2.190 ( -0.568 12.564 0.000) 12.577 2.190 ( 0.568 12.564 0.000) 12.577 2.826 ( -2.338 5.623 0.000) 6.090 2.826 ( 2.338 5.623 0.000) 6.090 2.940 ( -3.287 10.539 0.000) 11.039 2.940 ( 3.287 10.539 0.000) 11.039 3.149 ( -11.047 6.973 0.000) 13.064 3.149 ( 11.047 6.973 0.000) 13.064 3.566 ( -12.225 2.792 0.000) 12.539 3.566 ( 12.225 2.792 0.000) 12.539 3.886 ( -12.889 1.666 0.000) 12.996 3.886 ( 12.889 1.666 0.000) 12.996 4.106 ( -23.800 2.962 0.000) 23.984 4.106 ( 23.800 2.962 0.000) 23.984 4.887 ( -2.760 -1.756 0.000) 3.271 4.887 ( 2.760 -1.756 0.000) 3.271 5.413 ( -6.185 -2.648 0.000) 6.728 5.413 ( 6.185 -2.648 0.000) 6.728 5.644 ( -6.022 -3.715 0.000) 7.076 5.644 ( 6.022 -3.715 0.000) 7.076 5.747 ( -2.263 -4.472 0.000) 5.012 5.747 ( 2.263 -4.472 0.000) 5.012 6.074 ( -0.112 0.101 0.000) 0.151 6.074 ( 0.112 0.101 0.000) 0.151 6.380 ( -1.589 7.013 0.000) 7.190 6.380 ( 1.589 7.013 0.000) 7.190 6.556 ( -0.001 -0.595 0.000) 0.595 6.556 ( 0.001 -0.595 0.000) 0.595 6.787 ( -0.420 -6.528 0.000) 6.542 6.787 ( 0.420 -6.528 0.000) 6.542 7.175 ( -2.625 4.201 0.000) 4.954 7.175 ( 2.625 4.201 0.000) 4.954 7.278 ( -2.775 0.323 0.000) 2.794 7.278 ( 2.775 0.323 0.000) 2.794 7.482 ( -4.385 -1.199 0.000) 4.546 7.482 ( 4.385 -1.199 0.000) 4.546 8.093 ( -1.166 -8.187 0.000) 8.269 8.093 ( 1.166 -8.187 0.000) 8.269 8.282 ( -3.372 -0.108 0.000) 3.374 8.282 ( 3.372 -0.108 0.000) 3.374 8.667 ( -1.935 -4.814 0.000) 5.188 8.667 ( 1.935 -4.814 0.000) 5.188 8.708 ( -0.252 -5.794 0.000) 5.800 8.708 ( 0.252 -5.794 0.000) 5.800 8.953 ( -0.309 -1.226 0.000) 1.264 8.953 ( 0.309 -1.226 0.000) 1.264 9.060 ( -1.558 1.125 0.000) 1.922 9.060 ( 1.558 1.125 0.000) 1.922 9.183 ( -2.401 2.291 0.000) 3.319 9.183 ( 2.401 2.291 0.000) 3.319 9.726 ( -4.495 -7.242 0.000) 8.524 9.726 ( 4.495 -7.242 0.000) 8.524 9.854 ( -1.104 -3.414 0.000) 3.588 9.854 ( 1.104 -3.414 0.000) 3.588 10.381 ( -9.617 2.648 0.000) 9.975 10.381 ( 9.617 2.648 0.000) 9.975 10.413 ( -1.486 9.666 0.000) 9.780 10.413 ( 1.486 9.666 0.000) 9.780 10.983 ( -6.790 -0.278 0.000) 6.795 10.983 ( 6.790 -0.278 0.000) 6.795 11.183 ( -15.847 -0.918 0.000) 15.874 11.183 ( 15.847 -0.918 0.000) 15.874 12.653 ( -0.397 -2.811 0.000) 2.839 12.653 ( 0.397 -2.811 0.000) 2.839 12.881 ( -0.327 -4.269 0.000) 4.281 12.881 ( 0.327 -4.269 0.000) 4.281 ======================= Grid point 18 (11/80) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.000 23.494 0.000) 23.494 1.038 ( 0.000 27.750 0.000) 27.750 1.626 ( 0.000 15.522 0.000) 15.522 1.794 ( 0.000 3.804 0.000) 3.804 1.988 ( 0.000 48.139 0.000) 48.139 2.016 ( 0.000 29.343 0.000) 29.343 2.560 ( 0.000 3.579 0.000) 3.579 2.859 ( 0.000 26.761 0.000) 26.761 2.989 ( 0.000 8.898 0.000) 8.898 3.023 ( 0.000 12.046 0.000) 12.046 3.067 ( 0.000 12.599 0.000) 12.599 3.299 ( 0.000 13.264 0.000) 13.264 3.501 ( 0.000 22.383 0.000) 22.383 3.534 ( 0.000 9.820 0.000) 9.820 3.584 ( 0.000 6.781 0.000) 6.781 3.818 ( 0.000 26.226 0.000) 26.226 4.122 ( 0.000 0.952 0.000) 0.952 4.456 ( 0.000 11.173 0.000) 11.173 4.547 ( 0.000 -2.507 0.000) 2.507 4.567 ( 0.000 -3.384 0.000) 3.384 4.854 ( 0.000 -9.795 0.000) 9.795 5.341 ( 0.000 -7.077 0.000) 7.077 5.449 ( 0.000 0.564 0.000) 0.564 5.581 ( 0.000 -8.442 0.000) 8.442 5.582 ( 0.000 -4.433 0.000) 4.433 5.634 ( 0.000 -6.209 0.000) 6.209 5.878 ( 0.000 -6.075 0.000) 6.075 6.064 ( 0.000 -13.398 0.000) 13.398 6.127 ( 0.000 -7.315 0.000) 7.315 6.192 ( 0.000 -6.562 0.000) 6.562 6.201 ( 0.000 -6.296 0.000) 6.296 6.224 ( 0.000 -7.115 0.000) 7.115 6.839 ( 0.000 -5.583 0.000) 5.583 6.875 ( 0.000 -7.818 0.000) 7.818 6.932 ( 0.000 -12.527 0.000) 12.527 6.980 ( 0.000 1.004 0.000) 1.004 7.034 ( 0.000 -6.848 0.000) 6.848 7.125 ( 0.000 0.482 0.000) 0.482 7.157 ( 0.000 18.962 0.000) 18.962 7.233 ( 0.000 11.270 0.000) 11.270 7.235 ( 0.000 8.186 0.000) 8.186 7.654 ( 0.000 5.304 0.000) 5.304 7.692 ( 0.000 -7.780 0.000) 7.780 7.720 ( 0.000 -8.017 0.000) 8.017 7.772 ( 0.000 2.928 0.000) 2.928 8.151 ( 0.000 -4.285 0.000) 4.285 8.570 ( 0.000 -6.117 0.000) 6.117 8.593 ( 0.000 -15.524 0.000) 15.524 8.608 ( 0.000 2.684 0.000) 2.684 8.626 ( 0.000 -12.052 0.000) 12.052 8.791 ( 0.000 -5.898 0.000) 5.898 8.833 ( 0.000 -6.676 0.000) 6.676 8.924 ( 0.000 -10.173 0.000) 10.173 9.088 ( 0.000 1.739 0.000) 1.739 9.287 ( 0.000 6.228 0.000) 6.228 9.464 ( 0.000 1.491 0.000) 1.491 9.535 ( 0.000 2.229 0.000) 2.229 9.542 ( 0.000 3.962 0.000) 3.962 9.785 ( 0.000 -6.701 0.000) 6.701 9.864 ( 0.000 6.089 0.000) 6.089 10.186 ( 0.000 2.293 0.000) 2.293 10.345 ( 0.000 8.103 0.000) 8.103 10.389 ( 0.000 8.879 0.000) 8.879 10.410 ( 0.000 0.891 0.000) 0.891 10.718 ( 0.000 -0.658 0.000) 0.658 10.989 ( 0.000 4.293 0.000) 4.293 11.835 ( 0.000 -13.649 0.000) 13.649 11.954 ( 0.000 -23.799 0.000) 23.799 12.430 ( 0.000 2.241 0.000) 2.241 12.526 ( 0.000 -1.841 0.000) 1.841 12.656 ( 0.000 -2.200 0.000) 2.200 12.705 ( 0.000 -2.427 0.000) 2.427 ======================= Grid point 19 (12/80) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 12.540 20.005 0.000) 23.610 1.168 ( 12.199 22.334 0.000) 25.449 1.688 ( 6.091 14.018 0.000) 15.284 1.769 ( -1.573 7.071 0.000) 7.244 2.090 ( 6.814 27.942 0.000) 28.761 2.167 ( 15.450 42.065 0.000) 44.813 2.519 ( -0.899 11.113 0.000) 11.150 2.890 ( -1.451 15.434 0.000) 15.502 2.950 ( -2.878 9.940 0.000) 10.348 3.016 ( -1.790 10.883 0.000) 11.029 3.130 ( 7.567 11.875 0.000) 14.081 3.320 ( 1.825 14.626 0.000) 14.739 3.442 ( -4.719 13.608 0.000) 14.403 3.492 ( -0.893 21.308 0.000) 21.326 3.632 ( -0.039 6.987 0.000) 6.987 3.769 ( -4.873 24.628 0.000) 25.106 4.026 ( -8.710 3.354 0.000) 9.333 4.273 ( -9.495 -0.787 0.000) 9.528 4.488 ( 2.416 7.290 0.000) 7.680 4.750 ( -9.211 -6.450 0.000) 11.245 4.865 ( 12.173 -3.905 0.000) 12.784 5.145 ( -12.909 -2.540 0.000) 13.157 5.402 ( -10.511 -7.415 0.000) 12.864 5.454 ( 0.164 -6.088 0.000) 6.090 5.607 ( -4.355 -8.850 0.000) 9.863 5.739 ( 5.061 -3.933 0.000) 6.410 5.840 ( -1.790 -3.095 0.000) 3.576 6.064 ( -0.064 -11.037 0.000) 11.037 6.077 ( -8.389 -8.990 0.000) 12.296 6.197 ( 2.837 -4.503 0.000) 5.322 6.219 ( 3.061 -8.182 0.000) 8.736 6.273 ( 3.361 -4.442 0.000) 5.570 6.746 ( -7.098 -0.745 0.000) 7.137 6.751 ( -9.050 4.507 0.000) 10.110 6.866 ( -6.341 -6.227 0.000) 8.887 6.882 ( -4.780 -5.833 0.000) 7.541 7.100 ( 4.178 -4.264 0.000) 5.970 7.147 ( 2.202 -0.601 0.000) 2.282 7.200 ( -2.269 4.816 0.000) 5.324 7.219 ( -0.370 7.127 0.000) 7.137 7.297 ( 7.750 8.478 0.000) 11.487 7.651 ( -1.085 3.456 0.000) 3.622 7.701 ( 0.747 -8.720 0.000) 8.752 7.737 ( 4.320 -1.230 0.000) 4.492 7.820 ( 4.437 -2.216 0.000) 4.960 8.175 ( 1.888 -3.777 0.000) 4.223 8.499 ( -1.588 -11.150 0.000) 11.262 8.514 ( -2.515 -6.088 0.000) 6.587 8.730 ( 2.888 -3.666 0.000) 4.667 8.744 ( 6.639 -9.647 0.000) 11.711 8.810 ( 2.745 -5.412 0.000) 6.069 8.858 ( 1.886 -4.235 0.000) 4.636 8.932 ( 0.056 -6.301 0.000) 6.301 9.100 ( 2.298 0.050 0.000) 2.298 9.255 ( -2.830 4.086 0.000) 4.970 9.465 ( -2.220 -0.283 0.000) 2.238 9.494 ( -3.679 1.998 0.000) 4.187 9.551 ( 1.186 1.180 0.000) 1.673 9.590 ( -5.722 3.807 0.000) 6.873 10.056 ( 5.792 1.097 0.000) 5.895 10.199 ( 0.905 2.285 0.000) 2.457 10.361 ( 3.456 7.171 0.000) 7.960 10.423 ( 4.062 7.327 0.000) 8.378 10.453 ( 3.479 2.509 0.000) 4.290 10.721 ( -0.475 -1.047 0.000) 1.149 10.988 ( -0.001 3.633 0.000) 3.633 11.681 ( -13.444 -13.869 0.000) 19.315 11.882 ( -6.735 -19.324 0.000) 20.464 12.483 ( 3.608 -1.025 0.000) 3.750 12.531 ( 0.559 -1.979 0.000) 2.056 12.672 ( 1.737 -3.005 0.000) 3.471 12.719 ( 1.167 -2.951 0.000) 3.173 ======================= Grid point 20 (13/80) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 17.589 14.395 0.000) 22.728 1.494 ( 18.634 14.573 0.000) 23.656 1.777 ( 3.600 12.010 0.000) 12.538 1.866 ( 10.888 10.901 0.000) 15.407 2.264 ( 9.492 25.354 0.000) 27.073 2.437 ( 6.643 19.153 0.000) 20.273 2.631 ( 11.039 22.541 0.000) 25.099 2.793 ( -5.112 11.751 0.000) 12.815 2.872 ( -5.620 12.143 0.000) 13.380 2.956 ( -3.011 9.218 0.000) 9.697 3.325 ( 10.239 6.889 0.000) 12.341 3.331 ( -2.567 16.192 0.000) 16.395 3.366 ( -2.918 20.503 0.000) 20.710 3.481 ( 1.025 17.403 0.000) 17.433 3.593 ( -2.679 10.708 0.000) 11.038 3.626 ( -6.592 15.549 0.000) 16.888 3.798 ( -12.776 6.661 0.000) 14.408 4.174 ( -3.139 2.010 0.000) 3.728 4.470 ( -9.983 -2.458 0.000) 10.282 4.583 ( -1.481 3.485 0.000) 3.787 4.834 ( -8.629 1.648 0.000) 8.785 5.144 ( 8.499 -7.699 0.000) 11.468 5.164 ( -12.485 -5.406 0.000) 13.605 5.443 ( -0.910 -3.837 0.000) 3.943 5.487 ( -5.588 -10.596 0.000) 11.979 5.774 ( -1.461 -5.512 0.000) 5.702 5.783 ( -5.232 -2.285 0.000) 5.709 5.893 ( -8.641 -7.260 0.000) 11.286 6.064 ( 0.432 -6.204 0.000) 6.219 6.181 ( -2.972 -0.467 0.000) 3.008 6.314 ( 5.436 -8.940 0.000) 10.463 6.372 ( 4.856 -2.102 0.000) 5.291 6.606 ( -5.303 4.553 0.000) 6.990 6.614 ( -3.846 6.636 0.000) 7.670 6.768 ( -2.986 -3.248 0.000) 4.412 6.780 ( -4.939 -8.533 0.000) 9.859 7.148 ( -0.476 -1.629 0.000) 1.697 7.172 ( 2.530 0.958 0.000) 2.705 7.207 ( 1.413 2.146 0.000) 2.570 7.253 ( 3.705 -1.085 0.000) 3.861 7.387 ( 0.923 1.618 0.000) 1.863 7.602 ( -3.087 0.792 0.000) 3.187 7.770 ( 4.836 -10.294 0.000) 11.374 7.854 ( 5.786 1.429 0.000) 5.960 7.941 ( 7.772 -5.415 0.000) 9.472 8.221 ( 2.560 -3.015 0.000) 3.955 8.491 ( 0.311 -10.875 0.000) 10.879 8.499 ( 0.431 -7.966 0.000) 7.978 8.732 ( -2.297 -0.640 0.000) 2.384 8.815 ( 2.295 -3.936 0.000) 4.556 8.834 ( -3.047 -0.803 0.000) 3.151 8.888 ( 0.883 -1.835 0.000) 2.037 8.959 ( 3.736 -9.037 0.000) 9.779 9.178 ( 2.379 -0.924 0.000) 2.552 9.185 ( -3.768 1.732 0.000) 4.147 9.382 ( -3.143 0.131 0.000) 3.146 9.449 ( 1.236 -0.671 0.000) 1.406 9.561 ( -0.742 0.672 0.000) 1.001 9.588 ( 2.950 -1.834 0.000) 3.473 10.070 ( -2.301 4.322 0.000) 4.897 10.213 ( 0.765 2.737 0.000) 2.842 10.478 ( 5.681 4.919 0.000) 7.514 10.522 ( 3.421 6.506 0.000) 7.350 10.569 ( 9.589 2.108 0.000) 9.818 10.685 ( -2.767 0.202 0.000) 2.774 10.992 ( 0.454 2.263 0.000) 2.308 11.362 ( -16.383 -11.978 0.000) 20.295 11.690 ( -11.784 -13.171 0.000) 17.673 12.543 ( 2.270 -2.799 0.000) 3.604 12.551 ( 1.363 -2.325 0.000) 2.695 12.720 ( 2.460 -5.225 0.000) 5.775 12.744 ( 1.174 -4.218 0.000) 4.378 ======================= Grid point 21 (14/80) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 16.955 9.864 0.000) 19.616 1.837 ( 12.163 11.877 0.000) 17.000 1.960 ( 14.928 12.376 0.000) 19.391 2.078 ( 7.953 9.525 0.000) 12.408 2.442 ( 7.200 23.280 0.000) 24.367 2.499 ( -3.678 6.637 0.000) 7.588 2.572 ( -4.105 17.305 0.000) 17.785 2.707 ( -10.147 15.243 0.000) 18.311 2.900 ( 5.818 17.379 0.000) 18.327 2.930 ( 0.958 7.350 0.000) 7.412 3.204 ( -8.297 9.748 0.000) 12.801 3.325 ( -4.487 16.201 0.000) 16.810 3.388 ( -7.286 20.125 0.000) 21.403 3.538 ( -0.623 15.682 0.000) 15.695 3.548 ( 10.193 3.145 0.000) 10.667 3.569 ( -4.035 12.571 0.000) 13.202 3.766 ( 15.202 5.435 0.000) 16.145 4.047 ( -7.949 8.983 0.000) 11.995 4.191 ( -14.764 -0.862 0.000) 14.790 4.536 ( -8.117 2.979 0.000) 8.647 4.785 ( 3.035 0.826 0.000) 3.145 4.939 ( -7.542 -0.671 0.000) 7.571 5.266 ( 2.974 -7.401 0.000) 7.976 5.404 ( -3.192 -9.208 0.000) 9.745 5.463 ( 4.009 -1.734 0.000) 4.368 5.634 ( -6.827 -6.698 0.000) 9.564 5.704 ( -4.585 -7.279 0.000) 8.603 5.749 ( -6.393 -2.215 0.000) 6.766 6.081 ( 0.811 -0.969 0.000) 1.264 6.120 ( -2.345 1.785 0.000) 2.947 6.415 ( 4.526 -7.900 0.000) 9.105 6.451 ( 3.016 1.005 0.000) 3.179 6.541 ( -1.685 4.207 0.000) 4.532 6.573 ( -1.475 2.031 0.000) 2.510 6.697 ( -2.625 -5.839 0.000) 6.402 6.724 ( -1.852 -1.626 0.000) 2.464 7.173 ( 3.000 -2.350 0.000) 3.811 7.214 ( 1.606 -0.496 0.000) 1.681 7.226 ( 0.554 1.827 0.000) 1.910 7.335 ( 1.531 -0.360 0.000) 1.573 7.362 ( -0.334 -2.394 0.000) 2.417 7.532 ( -3.839 -1.611 0.000) 4.163 7.868 ( 4.285 -10.453 0.000) 11.297 7.930 ( 1.749 -4.859 0.000) 5.164 8.122 ( 8.776 -2.418 0.000) 9.103 8.269 ( 1.630 -1.700 0.000) 2.355 8.501 ( 0.586 -9.651 0.000) 9.669 8.514 ( 0.836 -8.086 0.000) 8.129 8.662 ( -3.654 -1.462 0.000) 3.935 8.724 ( -5.626 -0.690 0.000) 5.668 8.894 ( 3.916 -1.883 0.000) 4.345 8.904 ( 1.022 -1.493 0.000) 1.809 9.026 ( 2.453 -5.477 0.000) 6.001 9.114 ( -3.030 1.080 0.000) 3.216 9.168 ( -0.664 -0.739 0.000) 0.994 9.335 ( -2.930 2.214 0.000) 3.672 9.495 ( 0.892 -7.059 0.000) 7.115 9.519 ( -2.595 -6.923 0.000) 7.394 9.721 ( 9.918 0.202 0.000) 9.920 10.009 ( -3.528 4.830 0.000) 5.981 10.246 ( 2.934 1.875 0.000) 3.482 10.504 ( -4.514 -2.471 0.000) 5.146 10.580 ( 2.348 6.610 0.000) 7.015 10.641 ( -0.876 7.531 0.000) 7.581 10.794 ( 11.429 -0.222 0.000) 11.431 11.013 ( 2.186 0.899 0.000) 2.364 11.080 ( -9.915 -7.468 0.000) 12.413 11.424 ( -13.877 -7.461 0.000) 15.756 12.578 ( 1.229 -3.157 0.000) 3.388 12.579 ( 1.125 -2.652 0.000) 2.880 12.759 ( 1.266 -6.452 0.000) 6.575 12.764 ( 0.717 -5.636 0.000) 5.681 ======================= Grid point 22 (15/80) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -2.347 9.093 0.000) 9.391 1.971 ( 2.347 9.093 0.000) 9.391 2.152 ( -0.807 9.149 0.000) 9.185 2.152 ( 0.807 9.149 0.000) 9.185 2.442 ( -7.625 12.139 0.000) 14.335 2.442 ( 7.625 12.139 0.000) 14.335 2.575 ( -0.126 23.456 0.000) 23.457 2.575 ( 0.126 23.456 0.000) 23.457 2.971 ( -0.929 10.038 0.000) 10.081 2.971 ( 0.929 10.038 0.000) 10.081 3.125 ( -5.801 6.276 0.000) 8.547 3.125 ( 5.801 6.276 0.000) 8.547 3.412 ( -4.549 19.348 0.000) 19.875 3.412 ( 4.549 19.348 0.000) 19.875 3.660 ( -2.805 6.686 0.000) 7.251 3.660 ( 2.805 6.686 0.000) 7.251 3.937 ( -7.436 3.931 0.000) 8.411 3.937 ( 7.436 3.931 0.000) 8.411 4.214 ( -20.430 8.617 0.000) 22.173 4.214 ( 20.430 8.617 0.000) 22.173 4.861 ( -2.863 -0.311 0.000) 2.880 4.861 ( 2.863 -0.311 0.000) 2.880 5.323 ( -3.976 -6.302 0.000) 7.451 5.323 ( 3.976 -6.302 0.000) 7.451 5.565 ( -3.159 -5.266 0.000) 6.141 5.565 ( 3.159 -5.266 0.000) 6.141 5.642 ( -1.301 -4.625 0.000) 4.804 5.642 ( 1.301 -4.625 0.000) 4.804 6.092 ( -0.600 1.760 0.000) 1.860 6.092 ( 0.600 1.760 0.000) 1.860 6.490 ( -0.715 -1.845 0.000) 1.979 6.490 ( 0.715 -1.845 0.000) 1.979 6.524 ( -1.582 -0.158 0.000) 1.590 6.524 ( 1.582 -0.158 0.000) 1.590 6.689 ( -1.281 -1.398 0.000) 1.896 6.689 ( 1.281 -1.398 0.000) 1.896 7.231 ( -0.113 0.266 0.000) 0.288 7.231 ( 0.113 0.266 0.000) 0.288 7.258 ( -4.857 -1.616 0.000) 5.119 7.258 ( 4.857 -1.616 0.000) 5.119 7.445 ( -4.653 -2.769 0.000) 5.414 7.445 ( 4.653 -2.769 0.000) 5.414 7.930 ( -1.649 -8.653 0.000) 8.809 7.930 ( 1.649 -8.653 0.000) 8.809 8.255 ( -3.651 -1.031 0.000) 3.794 8.255 ( 3.651 -1.031 0.000) 3.794 8.517 ( -0.787 -7.796 0.000) 7.836 8.517 ( 0.787 -7.796 0.000) 7.836 8.637 ( -2.076 -3.352 0.000) 3.943 8.637 ( 2.076 -3.352 0.000) 3.943 8.928 ( -0.712 -1.188 0.000) 1.385 8.928 ( 0.712 -1.188 0.000) 1.385 9.065 ( -1.890 -1.449 0.000) 2.382 9.065 ( 1.890 -1.449 0.000) 2.382 9.230 ( -6.184 2.329 0.000) 6.608 9.230 ( 6.184 2.329 0.000) 6.608 9.495 ( -0.076 -10.570 0.000) 10.570 9.495 ( 0.076 -10.570 0.000) 10.570 9.909 ( -7.094 3.347 0.000) 7.844 9.909 ( 7.094 3.347 0.000) 7.844 10.354 ( -7.737 -2.132 0.000) 8.025 10.354 ( 7.737 -2.132 0.000) 8.025 10.620 ( -1.569 7.772 0.000) 7.928 10.620 ( 1.569 7.772 0.000) 7.928 10.957 ( -4.315 -2.553 0.000) 5.014 10.957 ( 4.315 -2.553 0.000) 5.014 11.150 ( -11.976 -2.661 0.000) 12.268 11.150 ( 11.976 -2.661 0.000) 12.268 12.591 ( -0.013 -2.986 0.000) 2.986 12.591 ( 0.013 -2.986 0.000) 2.986 12.771 ( -0.059 -6.495 0.000) 6.496 12.771 ( 0.059 -6.495 0.000) 6.496 ======================= Grid point 27 (16/80) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 0.000 23.734 0.000) 23.734 1.583 ( 0.000 27.846 0.000) 27.846 1.941 ( 0.000 10.900 0.000) 10.900 1.975 ( 0.000 19.823 0.000) 19.823 2.498 ( 0.000 19.871 0.000) 19.871 2.636 ( 0.000 5.160 0.000) 5.160 2.891 ( 0.000 42.854 0.000) 42.854 3.162 ( 0.000 8.200 0.000) 8.200 3.229 ( 0.000 5.333 0.000) 5.333 3.272 ( 0.000 12.971 0.000) 12.971 3.341 ( 0.000 19.944 0.000) 19.944 3.661 ( 0.000 22.766 0.000) 22.766 3.760 ( 0.000 13.238 0.000) 13.238 3.824 ( 0.000 16.756 0.000) 16.756 3.913 ( 0.000 18.226 0.000) 18.226 4.160 ( 0.000 3.073 0.000) 3.073 4.339 ( 0.000 21.734 0.000) 21.734 4.518 ( 0.000 3.518 0.000) 3.518 4.523 ( 0.000 0.178 0.000) 0.178 4.670 ( 0.000 -8.936 0.000) 8.936 4.743 ( 0.000 18.203 0.000) 18.203 5.173 ( 0.000 -10.089 0.000) 10.089 5.433 ( 0.000 -6.578 0.000) 6.578 5.453 ( 0.000 -8.611 0.000) 8.611 5.456 ( 0.000 -0.083 0.000) 0.083 5.508 ( 0.000 -6.627 0.000) 6.627 5.771 ( 0.000 -5.467 0.000) 5.467 5.819 ( 0.000 -11.394 0.000) 11.394 5.914 ( 0.000 -12.875 0.000) 12.875 6.049 ( 0.000 -7.666 0.000) 7.666 6.074 ( 0.000 -5.761 0.000) 5.761 6.093 ( 0.000 -6.948 0.000) 6.948 6.665 ( 0.000 -14.582 0.000) 14.582 6.690 ( 0.000 -10.501 0.000) 10.501 6.697 ( 0.000 -8.429 0.000) 8.429 6.819 ( 0.000 -12.985 0.000) 12.985 6.950 ( 0.000 -4.888 0.000) 4.888 7.070 ( 0.000 -5.638 0.000) 5.638 7.398 ( 0.000 8.836 0.000) 8.836 7.400 ( 0.000 7.775 0.000) 7.775 7.566 ( 0.000 -4.976 0.000) 4.976 7.582 ( 0.000 18.216 0.000) 18.216 7.605 ( 0.000 -3.665 0.000) 3.665 7.763 ( 0.000 6.087 0.000) 6.087 7.833 ( 0.000 3.455 0.000) 3.455 8.046 ( 0.000 -6.332 0.000) 6.332 8.325 ( 0.000 -11.020 0.000) 11.020 8.414 ( 0.000 -9.165 0.000) 9.165 8.423 ( 0.000 -8.371 0.000) 8.371 8.658 ( 0.000 2.436 0.000) 2.436 8.683 ( 0.000 -11.678 0.000) 11.678 8.686 ( 0.000 -7.381 0.000) 7.381 8.704 ( 0.000 -3.041 0.000) 3.041 9.160 ( 0.000 3.221 0.000) 3.221 9.428 ( 0.000 7.215 0.000) 7.215 9.494 ( 0.000 0.688 0.000) 0.688 9.587 ( 0.000 2.934 0.000) 2.934 9.623 ( 0.000 4.199 0.000) 4.199 9.639 ( 0.000 -7.086 0.000) 7.086 9.953 ( 0.000 2.930 0.000) 2.930 10.207 ( 0.000 -0.265 0.000) 0.265 10.415 ( 0.000 -0.439 0.000) 0.439 10.467 ( 0.000 4.045 0.000) 4.045 10.532 ( 0.000 5.699 0.000) 5.699 10.706 ( 0.000 -0.559 0.000) 0.559 10.991 ( 0.000 -3.981 0.000) 3.981 11.468 ( 0.000 -24.873 0.000) 24.873 11.540 ( 0.000 -16.446 0.000) 16.446 12.454 ( 0.000 0.216 0.000) 0.216 12.515 ( 0.000 0.550 0.000) 0.550 12.604 ( 0.000 -3.083 0.000) 3.083 12.651 ( 0.000 -3.060 0.000) 3.060 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.12 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 8.450 21.953 0.000) 23.523 1.633 ( 5.340 24.878 0.000) 25.445 1.966 ( 2.637 12.721 0.000) 12.992 2.007 ( 3.388 18.464 0.000) 18.772 2.554 ( 5.181 19.115 0.000) 19.805 2.634 ( 0.020 5.734 0.000) 5.734 2.995 ( 8.366 37.743 0.000) 38.659 3.140 ( -1.920 8.953 0.000) 9.157 3.146 ( -5.691 8.912 0.000) 10.574 3.256 ( -1.905 13.300 0.000) 13.436 3.392 ( 4.107 15.030 0.000) 15.581 3.679 ( 1.028 20.743 0.000) 20.769 3.727 ( -2.497 13.411 0.000) 13.642 3.860 ( 1.249 16.447 0.000) 16.495 3.874 ( -4.199 15.682 0.000) 16.235 4.122 ( -3.113 6.968 0.000) 7.632 4.198 ( -10.366 11.570 0.000) 15.534 4.365 ( -4.241 17.354 0.000) 17.865 4.595 ( -6.708 -4.439 0.000) 8.043 4.723 ( -2.195 12.101 0.000) 12.299 4.777 ( 11.873 -4.702 0.000) 12.770 5.094 ( -9.281 -2.701 0.000) 9.666 5.272 ( -9.551 -5.617 0.000) 11.080 5.339 ( -0.608 -5.219 0.000) 5.254 5.424 ( -6.412 -9.604 0.000) 11.548 5.659 ( 4.457 -4.266 0.000) 6.169 5.786 ( 1.542 -3.562 0.000) 3.881 5.838 ( 2.380 -11.632 0.000) 11.873 5.869 ( -5.931 -10.713 0.000) 12.246 6.055 ( 1.464 -8.327 0.000) 8.455 6.104 ( 3.807 -4.727 0.000) 6.070 6.151 ( 4.314 -7.605 0.000) 8.744 6.643 ( -2.722 -10.443 0.000) 10.792 6.643 ( -0.569 -9.945 0.000) 9.961 6.706 ( -1.159 -8.476 0.000) 8.554 6.823 ( -2.904 -5.585 0.000) 6.295 6.982 ( 4.133 -6.812 0.000) 7.968 7.081 ( 0.598 -5.924 0.000) 5.954 7.270 ( -6.699 0.848 0.000) 6.752 7.316 ( -6.418 6.264 0.000) 8.969 7.545 ( -1.793 11.566 0.000) 11.704 7.576 ( -0.453 -4.257 0.000) 4.281 7.711 ( 7.356 0.040 0.000) 7.356 7.728 ( -3.466 4.663 0.000) 5.810 7.836 ( 1.165 3.066 0.000) 3.280 8.083 ( 3.021 -5.751 0.000) 6.496 8.291 ( -0.417 -9.164 0.000) 9.174 8.398 ( -1.902 -4.773 0.000) 5.138 8.553 ( 9.002 -9.462 0.000) 13.060 8.680 ( 4.443 -3.145 0.000) 5.443 8.699 ( 2.326 -5.712 0.000) 6.167 8.766 ( 3.193 -3.002 0.000) 4.382 8.782 ( 5.801 -6.024 0.000) 8.363 9.152 ( -0.408 2.796 0.000) 2.826 9.344 ( -6.891 4.212 0.000) 8.076 9.479 ( -2.833 0.652 0.000) 2.907 9.513 ( -5.735 0.951 0.000) 5.813 9.616 ( -0.064 -0.022 0.000) 0.067 9.623 ( -0.394 4.713 0.000) 4.730 10.056 ( 6.429 -0.752 0.000) 6.473 10.219 ( 1.018 -0.331 0.000) 1.070 10.454 ( 3.461 -0.278 0.000) 3.472 10.455 ( -0.062 2.077 0.000) 2.078 10.559 ( 2.687 4.261 0.000) 5.037 10.694 ( -1.397 -1.677 0.000) 2.183 10.990 ( -0.128 -3.491 0.000) 3.493 11.350 ( -9.934 -19.359 0.000) 21.759 11.517 ( -3.029 -17.470 0.000) 17.731 12.468 ( 1.281 -0.765 0.000) 1.492 12.514 ( 0.066 0.239 0.000) 0.248 12.610 ( 0.608 -3.328 0.000) 3.383 12.657 ( 0.436 -3.322 0.000) 3.350 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.25 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 13.186 18.190 0.000) 22.467 1.812 ( 12.106 17.956 0.000) 21.656 2.058 ( 6.618 16.078 0.000) 17.387 2.122 ( 7.852 15.224 0.000) 17.130 2.634 ( -0.628 4.651 0.000) 4.693 2.686 ( 7.013 16.700 0.000) 18.113 2.988 ( -5.334 14.523 0.000) 15.471 3.092 ( -2.692 9.917 0.000) 10.276 3.189 ( -4.479 14.796 0.000) 15.459 3.194 ( 5.282 20.780 0.000) 21.440 3.509 ( 6.780 13.955 0.000) 15.515 3.598 ( -11.067 9.183 0.000) 14.381 3.689 ( 0.510 9.736 0.000) 9.749 3.818 ( 1.246 17.649 0.000) 17.693 3.823 ( -6.247 14.493 0.000) 15.782 3.986 ( -8.304 19.533 0.000) 21.225 4.043 ( -5.151 16.245 0.000) 17.042 4.335 ( 0.596 15.306 0.000) 15.317 4.415 ( -10.829 -2.255 0.000) 11.061 4.663 ( -3.258 3.978 0.000) 5.142 4.895 ( -7.569 4.314 0.000) 8.713 4.983 ( 8.102 -7.962 0.000) 11.359 5.096 ( -7.344 -0.486 0.000) 7.360 5.286 ( -5.393 -9.637 0.000) 11.044 5.376 ( 2.682 -2.778 0.000) 3.861 5.658 ( -3.573 -6.128 0.000) 7.093 5.705 ( -9.430 -7.003 0.000) 11.746 5.789 ( -1.713 -1.696 0.000) 2.411 5.911 ( 4.930 -9.363 0.000) 10.582 6.135 ( 5.600 -8.732 0.000) 10.374 6.152 ( 0.903 -2.130 0.000) 2.313 6.266 ( 5.755 -8.338 0.000) 10.131 6.604 ( -1.364 -9.117 0.000) 9.218 6.635 ( -2.966 -2.018 0.000) 3.587 6.664 ( 0.182 -7.877 0.000) 7.879 6.710 ( -5.860 2.158 0.000) 6.245 7.065 ( -1.350 -5.408 0.000) 5.574 7.084 ( 4.404 -8.456 0.000) 9.534 7.203 ( 0.294 -4.148 0.000) 4.158 7.256 ( 0.499 2.506 0.000) 2.555 7.487 ( -3.944 8.179 0.000) 9.080 7.600 ( 2.441 -7.070 0.000) 7.479 7.632 ( -5.729 2.391 0.000) 6.208 7.788 ( 0.608 -8.139 0.000) 8.162 7.947 ( 9.140 5.076 0.000) 10.454 8.159 ( 4.502 -4.191 0.000) 6.151 8.308 ( 1.605 -7.619 0.000) 7.786 8.375 ( -0.281 -3.531 0.000) 3.542 8.717 ( 6.865 -6.225 0.000) 9.268 8.740 ( -1.620 1.243 0.000) 2.042 8.785 ( 5.912 -4.432 0.000) 7.388 8.817 ( 3.835 -5.052 0.000) 6.343 8.834 ( -2.256 -1.852 0.000) 2.919 9.160 ( 0.301 -0.730 0.000) 0.789 9.184 ( -7.914 -0.189 0.000) 7.916 9.411 ( -3.076 2.616 0.000) 4.038 9.416 ( -2.201 -1.613 0.000) 2.729 9.610 ( -2.179 2.558 0.000) 3.360 9.627 ( 1.788 3.971 0.000) 4.355 10.109 ( -1.165 -0.346 0.000) 1.215 10.241 ( 1.111 -0.029 0.000) 1.111 10.482 ( 0.489 -4.276 0.000) 4.304 10.542 ( 4.723 -1.276 0.000) 4.892 10.641 ( 5.465 1.768 0.000) 5.744 10.670 ( 0.667 -2.037 0.000) 2.143 10.988 ( -0.039 -2.837 0.000) 2.837 11.116 ( -11.886 -12.511 0.000) 17.257 11.415 ( -6.799 -14.447 0.000) 15.967 12.499 ( 1.679 -1.760 0.000) 2.432 12.523 ( 0.782 -0.496 0.000) 0.926 12.626 ( 0.777 -4.280 0.000) 4.350 12.662 ( 0.002 -3.996 0.000) 3.996 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.38 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 13.305 14.290 0.000) 19.525 2.085 ( 12.662 13.023 0.000) 18.164 2.235 ( 10.613 16.265 0.000) 19.421 2.302 ( 8.389 13.392 0.000) 15.803 2.572 ( -5.128 3.572 0.000) 6.249 2.778 ( -0.849 9.840 0.000) 9.877 2.944 ( 1.404 17.432 0.000) 17.488 3.038 ( -1.278 14.898 0.000) 14.953 3.098 ( -3.480 12.727 0.000) 13.195 3.233 ( -0.157 13.861 0.000) 13.862 3.349 ( -10.235 7.724 0.000) 12.823 3.520 ( -16.611 2.087 0.000) 16.742 3.620 ( 2.617 10.105 0.000) 10.439 3.767 ( 3.961 12.732 0.000) 13.334 3.841 ( -2.904 12.566 0.000) 12.897 3.928 ( -3.191 20.988 0.000) 21.230 4.014 ( 7.559 22.484 0.000) 23.720 4.183 ( -10.407 1.498 0.000) 10.514 4.333 ( -0.121 18.206 0.000) 18.206 4.588 ( -5.065 1.818 0.000) 5.381 4.836 ( 1.442 4.521 0.000) 4.745 4.972 ( -4.866 4.361 0.000) 6.534 5.111 ( 4.849 -7.569 0.000) 8.989 5.234 ( -0.269 -7.626 0.000) 7.630 5.434 ( 2.185 -2.352 0.000) 3.210 5.510 ( -8.873 -5.371 0.000) 10.372 5.567 ( -3.224 -5.122 0.000) 6.052 5.720 ( -4.824 -0.535 0.000) 4.853 6.033 ( 6.099 -5.072 0.000) 7.932 6.152 ( -0.671 1.150 0.000) 1.332 6.239 ( 4.386 -8.638 0.000) 9.688 6.350 ( 1.806 -10.248 0.000) 10.406 6.547 ( -3.195 -3.464 0.000) 4.712 6.570 ( -2.590 -1.079 0.000) 2.806 6.662 ( 0.396 -0.726 0.000) 0.828 6.679 ( 0.368 -5.030 0.000) 5.043 7.081 ( 3.192 -5.111 0.000) 6.026 7.147 ( 2.524 -6.198 0.000) 6.692 7.262 ( 4.300 -5.604 0.000) 7.063 7.273 ( 0.468 2.140 0.000) 2.190 7.385 ( -5.808 4.637 0.000) 7.432 7.502 ( -6.790 -0.648 0.000) 6.821 7.667 ( 3.774 -9.909 0.000) 10.604 7.779 ( -1.235 -10.344 0.000) 10.418 8.149 ( 10.003 4.552 0.000) 10.990 8.264 ( 5.403 -0.553 0.000) 5.431 8.344 ( 1.822 -6.203 0.000) 6.465 8.376 ( 0.183 -4.308 0.000) 4.312 8.647 ( -6.483 -0.225 0.000) 6.487 8.697 ( -8.035 -2.436 0.000) 8.397 8.860 ( 5.547 -2.004 0.000) 5.898 8.879 ( 1.896 -1.325 0.000) 2.314 8.914 ( 5.444 -4.204 0.000) 6.878 9.060 ( -4.006 -4.685 0.000) 6.164 9.143 ( 0.362 -1.609 0.000) 1.650 9.367 ( -1.201 2.689 0.000) 2.945 9.403 ( -0.799 -2.355 0.000) 2.487 9.491 ( -9.178 1.035 0.000) 9.236 9.738 ( 8.962 1.070 0.000) 9.025 10.056 ( -3.742 -0.349 0.000) 3.759 10.266 ( 1.487 0.037 0.000) 1.488 10.413 ( -5.803 -6.049 0.000) 8.382 10.624 ( 3.376 -1.595 0.000) 3.734 10.722 ( 1.730 -0.061 0.000) 1.732 10.781 ( 7.688 -1.727 0.000) 7.880 10.922 ( -5.698 -8.225 0.000) 10.006 10.992 ( 0.798 -3.236 0.000) 3.333 11.251 ( -9.074 -10.000 0.000) 13.503 12.531 ( 1.351 -1.703 0.000) 2.174 12.541 ( 0.834 -1.063 0.000) 1.351 12.639 ( 0.501 -5.390 0.000) 5.413 12.657 ( -0.449 -4.950 0.000) 4.971 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -5.495 12.130 0.000) 13.316 2.183 ( 5.495 12.130 0.000) 13.316 2.383 ( -0.910 14.392 0.000) 14.420 2.383 ( 0.910 14.392 0.000) 14.420 2.607 ( -11.529 5.566 0.000) 12.802 2.607 ( 11.529 5.566 0.000) 12.802 3.007 ( -3.578 19.179 0.000) 19.510 3.007 ( 3.578 19.179 0.000) 19.510 3.182 ( -12.555 2.511 0.000) 12.804 3.182 ( 12.555 2.511 0.000) 12.804 3.240 ( -1.009 14.717 0.000) 14.751 3.240 ( 1.009 14.717 0.000) 14.751 3.716 ( -6.062 6.194 0.000) 8.667 3.716 ( 6.062 6.194 0.000) 8.667 3.864 ( -5.538 15.321 0.000) 16.291 3.864 ( 5.538 15.321 0.000) 16.291 4.084 ( -0.089 12.723 0.000) 12.723 4.084 ( 0.089 12.723 0.000) 12.723 4.434 ( -9.072 12.698 0.000) 15.606 4.434 ( 9.072 12.698 0.000) 15.606 4.895 ( -3.268 4.060 0.000) 5.212 4.895 ( 3.268 4.060 0.000) 5.212 5.204 ( -4.023 -4.580 0.000) 6.096 5.204 ( 4.023 -4.580 0.000) 6.096 5.416 ( -0.813 -8.610 0.000) 8.648 5.416 ( 0.813 -8.610 0.000) 8.648 5.610 ( -5.401 0.581 0.000) 5.432 5.610 ( 5.401 0.581 0.000) 5.432 6.123 ( -2.575 0.427 0.000) 2.610 6.123 ( 2.575 0.427 0.000) 2.610 6.322 ( -3.680 -10.688 0.000) 11.304 6.322 ( 3.680 -10.688 0.000) 11.304 6.531 ( -1.176 -1.453 0.000) 1.869 6.531 ( 1.176 -1.453 0.000) 1.869 6.676 ( -0.555 -3.090 0.000) 3.139 6.676 ( 0.555 -3.090 0.000) 3.139 7.162 ( -2.703 -4.741 0.000) 5.458 7.162 ( 2.703 -4.741 0.000) 5.458 7.283 ( -1.774 2.385 0.000) 2.972 7.283 ( 1.774 2.385 0.000) 2.972 7.370 ( -5.718 -3.806 0.000) 6.869 7.370 ( 5.718 -3.806 0.000) 6.869 7.737 ( -2.900 -10.720 0.000) 11.106 7.737 ( 2.900 -10.720 0.000) 11.106 8.306 ( -3.444 6.466 0.000) 7.326 8.306 ( 3.444 6.466 0.000) 7.326 8.380 ( -1.053 -6.634 0.000) 6.717 8.380 ( 1.053 -6.634 0.000) 6.717 8.564 ( -2.097 -4.098 0.000) 4.603 8.564 ( 2.097 -4.098 0.000) 4.603 8.908 ( -0.747 -0.911 0.000) 1.178 8.908 ( 0.747 -0.911 0.000) 1.178 8.994 ( -3.277 -4.885 0.000) 5.883 8.994 ( 3.277 -4.885 0.000) 5.883 9.262 ( -10.064 0.476 0.000) 10.075 9.262 ( 10.064 0.476 0.000) 10.075 9.381 ( -0.652 -1.175 0.000) 1.344 9.381 ( 0.652 -1.175 0.000) 1.344 9.933 ( -8.681 -0.974 0.000) 8.735 9.933 ( 8.681 -0.974 0.000) 8.735 10.311 ( -3.418 -2.128 0.000) 4.027 10.311 ( 3.418 -2.128 0.000) 4.027 10.691 ( -3.273 -0.668 0.000) 3.340 10.691 ( 3.273 -0.668 0.000) 3.340 10.883 ( -1.198 -5.026 0.000) 5.167 10.883 ( 1.198 -5.026 0.000) 5.167 11.069 ( -7.682 -5.758 0.000) 9.601 11.069 ( 7.682 -5.758 0.000) 9.601 12.549 ( -0.247 -1.284 0.000) 1.308 12.549 ( 0.247 -1.284 0.000) 1.308 12.648 ( -0.427 -5.724 0.000) 5.740 12.648 ( 0.427 -5.724 0.000) 5.740 ======================= Grid point 36 (21/80) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.000 23.949 0.000) 23.949 2.120 ( 0.000 26.953 0.000) 26.953 2.199 ( 0.000 15.047 0.000) 15.047 2.384 ( 0.000 21.640 0.000) 21.640 2.729 ( 0.000 4.579 0.000) 4.579 2.830 ( 0.000 15.276 0.000) 15.276 3.299 ( 0.000 5.859 0.000) 5.859 3.329 ( 0.000 5.562 0.000) 5.562 3.511 ( 0.000 11.160 0.000) 11.160 3.578 ( 0.000 6.029 0.000) 6.029 3.673 ( 0.000 36.528 0.000) 36.528 4.042 ( 0.000 10.487 0.000) 10.487 4.043 ( 0.000 3.915 0.000) 3.915 4.131 ( 0.000 22.280 0.000) 22.280 4.183 ( 0.000 9.434 0.000) 9.434 4.242 ( 0.000 2.656 0.000) 2.656 4.408 ( 0.000 -2.333 0.000) 2.333 4.572 ( 0.000 4.965 0.000) 4.965 4.647 ( 0.000 13.049 0.000) 13.049 4.898 ( 0.000 22.190 0.000) 22.190 4.949 ( 0.000 -12.675 0.000) 12.675 5.130 ( 0.000 19.476 0.000) 19.476 5.267 ( 0.000 -9.867 0.000) 9.867 5.323 ( 0.000 -5.033 0.000) 5.033 5.384 ( 0.000 -5.776 0.000) 5.776 5.426 ( 0.000 -3.538 0.000) 3.538 5.634 ( 0.000 -7.179 0.000) 7.179 5.644 ( 0.000 -7.034 0.000) 7.034 5.668 ( 0.000 -11.408 0.000) 11.408 5.900 ( 0.000 -7.644 0.000) 7.644 5.946 ( 0.000 -8.079 0.000) 8.079 6.004 ( 0.000 -1.685 0.000) 1.685 6.380 ( 0.000 -14.046 0.000) 14.046 6.487 ( 0.000 -9.894 0.000) 9.894 6.528 ( 0.000 -8.566 0.000) 8.566 6.551 ( 0.000 -13.976 0.000) 13.976 6.786 ( 0.000 -10.650 0.000) 10.650 6.944 ( 0.000 -6.001 0.000) 6.001 7.502 ( 0.000 1.909 0.000) 1.909 7.505 ( 0.000 -1.135 0.000) 1.135 7.518 ( 0.000 2.714 0.000) 2.714 7.569 ( 0.000 -0.286 0.000) 0.286 7.844 ( 0.000 6.129 0.000) 6.129 7.898 ( 0.000 7.230 0.000) 7.230 7.917 ( 0.000 -5.919 0.000) 5.919 7.917 ( 0.000 5.551 0.000) 5.551 8.169 ( 0.000 -5.416 0.000) 5.416 8.268 ( 0.000 -3.369 0.000) 3.369 8.298 ( 0.000 -4.613 0.000) 4.613 8.506 ( 0.000 -6.008 0.000) 6.008 8.570 ( 0.000 -4.173 0.000) 4.173 8.673 ( 0.000 0.080 0.000) 0.080 8.708 ( 0.000 2.829 0.000) 2.829 9.198 ( 0.000 0.683 0.000) 0.683 9.399 ( 0.000 -9.053 0.000) 9.053 9.552 ( 0.000 5.379 0.000) 5.379 9.608 ( 0.000 2.822 0.000) 2.822 9.647 ( 0.000 3.125 0.000) 3.125 9.700 ( 0.000 3.594 0.000) 3.594 9.978 ( 0.000 -0.493 0.000) 0.493 10.177 ( 0.000 -2.644 0.000) 2.644 10.386 ( 0.000 -2.744 0.000) 2.744 10.479 ( 0.000 -3.767 0.000) 3.767 10.612 ( 0.000 2.558 0.000) 2.558 10.695 ( 0.000 -0.596 0.000) 0.596 10.864 ( 0.000 -7.917 0.000) 7.917 11.034 ( 0.000 -17.813 0.000) 17.813 11.201 ( 0.000 -18.032 0.000) 18.032 12.443 ( 0.000 -1.178 0.000) 1.178 12.532 ( 0.000 0.724 0.000) 0.724 12.538 ( 0.000 -3.567 0.000) 3.567 12.590 ( 0.000 -3.096 0.000) 3.096 ======================= Grid point 37 (22/80) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 5.853 22.670 0.000) 23.414 2.126 ( 1.032 25.384 0.000) 25.405 2.244 ( 4.499 15.202 0.000) 15.854 2.393 ( 1.149 20.523 0.000) 20.555 2.729 ( -0.116 4.518 0.000) 4.519 2.869 ( 3.493 14.352 0.000) 14.771 3.280 ( -3.885 6.727 0.000) 7.768 3.290 ( -0.955 6.458 0.000) 6.528 3.508 ( -0.409 11.980 0.000) 11.987 3.517 ( -4.159 8.963 0.000) 9.881 3.770 ( 6.836 28.917 0.000) 29.714 3.944 ( -7.395 3.750 0.000) 8.292 3.971 ( -8.730 6.824 0.000) 11.081 4.112 ( -2.781 5.930 0.000) 6.550 4.156 ( 0.363 17.593 0.000) 17.596 4.281 ( 1.889 7.936 0.000) 8.158 4.436 ( 1.539 13.172 0.000) 13.262 4.543 ( -2.851 5.007 0.000) 5.762 4.689 ( -1.019 8.135 0.000) 8.198 4.719 ( -3.137 0.258 0.000) 3.148 5.000 ( -12.740 10.267 0.000) 16.362 5.093 ( 3.126 6.102 0.000) 6.857 5.210 ( -2.480 1.674 0.000) 2.992 5.244 ( -6.315 -8.494 0.000) 10.584 5.267 ( -1.496 -1.794 0.000) 2.336 5.565 ( 4.960 -6.272 0.000) 7.996 5.625 ( -1.446 -9.452 0.000) 9.562 5.629 ( 0.415 -8.687 0.000) 8.697 5.752 ( 4.308 -3.723 0.000) 5.694 5.899 ( 1.046 -7.657 0.000) 7.728 5.994 ( 3.930 -8.038 0.000) 8.947 6.031 ( 2.959 -2.700 0.000) 4.006 6.408 ( 2.597 -12.740 0.000) 13.002 6.433 ( -2.117 -10.411 0.000) 10.625 6.539 ( 0.530 -8.748 0.000) 8.764 6.639 ( 4.392 -11.688 0.000) 12.486 6.812 ( 2.742 -10.072 0.000) 10.438 6.958 ( 1.250 -5.404 0.000) 5.546 7.312 ( -10.408 3.551 0.000) 10.997 7.419 ( -7.842 4.140 0.000) 8.867 7.506 ( -2.993 -3.622 0.000) 4.699 7.596 ( 1.448 -4.159 0.000) 4.404 7.808 ( -4.907 6.822 0.000) 8.403 7.843 ( -4.579 6.964 0.000) 8.335 7.908 ( 1.919 2.018 0.000) 2.785 7.953 ( 3.062 -7.254 0.000) 7.874 8.164 ( 1.014 -2.555 0.000) 2.749 8.340 ( 2.151 -1.319 0.000) 2.523 8.410 ( 10.369 -4.472 0.000) 11.292 8.609 ( 4.843 -3.073 0.000) 5.736 8.611 ( 8.056 -3.211 0.000) 8.672 8.710 ( 3.717 -1.240 0.000) 3.918 8.759 ( 2.734 1.490 0.000) 3.114 9.184 ( -1.335 0.393 0.000) 1.392 9.371 ( -4.117 -3.805 0.000) 5.606 9.473 ( -4.343 1.319 0.000) 4.539 9.546 ( -7.497 2.563 0.000) 7.923 9.648 ( 2.126 3.346 0.000) 3.964 9.712 ( -0.028 4.173 0.000) 4.173 10.026 ( 3.706 -2.584 0.000) 4.518 10.188 ( 1.019 -2.680 0.000) 2.868 10.421 ( -4.964 -6.077 0.000) 7.847 10.425 ( 3.225 -2.990 0.000) 4.398 10.600 ( -0.543 0.185 0.000) 0.573 10.657 ( -3.199 -2.088 0.000) 3.820 10.879 ( 1.164 -6.724 0.000) 6.824 11.001 ( -3.495 -14.693 0.000) 15.103 11.186 ( -1.376 -16.537 0.000) 16.594 12.448 ( 0.612 -1.248 0.000) 1.390 12.527 ( -0.304 0.688 0.000) 0.752 12.544 ( 0.460 -3.472 0.000) 3.503 12.593 ( 0.215 -3.100 0.000) 3.107 ======================= Grid point 38 (23/80) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 9.740 19.668 0.000) 21.948 2.187 ( 5.504 20.222 0.000) 20.957 2.379 ( 8.511 16.068 0.000) 18.183 2.447 ( 4.622 17.562 0.000) 18.160 2.716 ( -1.522 4.495 0.000) 4.745 2.942 ( 2.488 10.856 0.000) 11.138 3.213 ( -1.947 9.201 0.000) 9.404 3.254 ( -2.853 6.773 0.000) 7.349 3.439 ( -2.812 6.466 0.000) 7.051 3.491 ( -1.351 14.800 0.000) 14.862 3.728 ( -12.686 5.758 0.000) 13.931 3.742 ( -10.151 2.498 0.000) 10.454 3.922 ( 4.188 16.682 0.000) 17.200 4.070 ( -8.338 15.589 0.000) 17.679 4.070 ( -3.633 1.487 0.000) 3.926 4.285 ( -1.374 10.568 0.000) 10.657 4.445 ( 0.294 21.990 0.000) 21.992 4.474 ( -3.813 8.534 0.000) 9.347 4.638 ( 1.280 13.948 0.000) 14.006 4.709 ( -13.032 0.496 0.000) 13.041 4.818 ( 6.611 -6.610 0.000) 9.349 5.038 ( -3.951 8.283 0.000) 9.177 5.125 ( -4.236 -6.180 0.000) 7.493 5.176 ( -1.455 8.064 0.000) 8.194 5.354 ( 4.906 1.095 0.000) 5.027 5.551 ( -3.264 -4.248 0.000) 5.357 5.564 ( -4.480 -6.189 0.000) 7.640 5.706 ( 6.023 -11.187 0.000) 12.705 5.788 ( -0.819 0.654 0.000) 1.048 5.981 ( 6.409 -7.270 0.000) 9.692 6.078 ( 4.070 -9.361 0.000) 10.207 6.109 ( 3.451 -2.862 0.000) 4.484 6.419 ( 0.534 -9.262 0.000) 9.277 6.469 ( 2.944 -11.289 0.000) 11.667 6.533 ( -1.217 -7.745 0.000) 7.840 6.664 ( -1.869 -7.519 0.000) 7.748 6.901 ( 5.553 -8.622 0.000) 10.255 6.982 ( 1.025 -2.761 0.000) 2.945 7.165 ( -2.963 1.588 0.000) 3.362 7.297 ( -2.976 2.031 0.000) 3.603 7.459 ( -1.632 -7.219 0.000) 7.401 7.598 ( -1.472 -9.960 0.000) 10.069 7.667 ( -7.325 8.950 0.000) 11.565 7.731 ( -6.120 7.276 0.000) 9.507 8.000 ( 6.508 -2.823 0.000) 7.094 8.032 ( 4.787 -8.287 0.000) 9.570 8.227 ( 4.693 1.203 0.000) 4.844 8.375 ( 1.636 2.430 0.000) 2.930 8.602 ( 7.537 -4.476 0.000) 8.766 8.714 ( 2.379 -4.303 0.000) 4.917 8.756 ( 6.343 0.468 0.000) 6.360 8.785 ( 1.646 2.955 0.000) 3.382 8.795 ( 2.382 -2.084 0.000) 3.165 9.146 ( -2.436 -1.038 0.000) 2.648 9.201 ( -10.627 1.589 0.000) 10.745 9.411 ( -4.178 1.445 0.000) 4.421 9.436 ( -0.654 -0.602 0.000) 0.889 9.659 ( -2.448 2.781 0.000) 3.705 9.711 ( 0.652 4.348 0.000) 4.397 10.055 ( -1.974 -5.379 0.000) 5.730 10.214 ( 1.510 -2.535 0.000) 2.951 10.336 ( -2.340 -9.247 0.000) 9.538 10.493 ( 3.064 -4.082 0.000) 5.104 10.607 ( -0.551 -4.302 0.000) 4.337 10.617 ( 2.595 -3.616 0.000) 4.451 10.895 ( -6.452 -10.080 0.000) 11.968 10.897 ( 0.356 -5.829 0.000) 5.840 11.140 ( -3.398 -13.448 0.000) 13.870 12.470 ( 1.455 -1.363 0.000) 1.993 12.525 ( 0.143 0.398 0.000) 0.423 12.553 ( 0.407 -3.194 0.000) 3.220 12.593 ( -0.312 -3.018 0.000) 3.035 ======================= Grid point 39 (24/80) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 9.868 16.237 0.000) 19.001 2.348 ( 9.462 14.026 0.000) 16.919 2.571 ( 9.562 16.541 0.000) 19.106 2.586 ( 8.410 14.942 0.000) 17.147 2.659 ( -3.528 6.073 0.000) 7.023 2.906 ( -7.045 4.858 0.000) 8.558 3.171 ( -4.668 4.489 0.000) 6.477 3.210 ( 0.755 9.244 0.000) 9.275 3.423 ( 0.202 7.083 0.000) 7.086 3.441 ( -4.035 16.231 0.000) 16.725 3.498 ( -10.905 -1.765 0.000) 11.047 3.560 ( -2.333 13.721 0.000) 13.918 3.871 ( -6.540 13.106 0.000) 14.647 3.912 ( -10.054 -3.856 0.000) 10.768 4.010 ( 1.973 12.887 0.000) 13.038 4.290 ( -8.385 12.138 0.000) 14.753 4.305 ( -0.495 10.206 0.000) 10.218 4.449 ( -0.994 17.387 0.000) 17.415 4.603 ( 0.740 0.205 0.000) 0.768 4.652 ( -0.636 11.195 0.000) 11.213 4.951 ( 3.980 6.968 0.000) 8.025 5.044 ( 7.025 4.200 0.000) 8.185 5.062 ( -2.466 0.791 0.000) 2.590 5.162 ( 0.432 3.953 0.000) 3.977 5.341 ( -5.231 -5.525 0.000) 7.608 5.446 ( -7.273 -0.956 0.000) 7.336 5.558 ( 4.017 3.193 0.000) 5.131 5.737 ( -3.652 2.237 0.000) 4.282 5.861 ( 8.557 -11.393 0.000) 14.249 6.111 ( 5.452 -5.300 0.000) 7.603 6.113 ( -1.604 -10.148 0.000) 10.274 6.166 ( 2.396 -2.533 0.000) 3.487 6.436 ( 0.818 -7.194 0.000) 7.241 6.494 ( -1.864 -6.506 0.000) 6.767 6.521 ( 1.665 -10.229 0.000) 10.364 6.602 ( -3.151 -6.256 0.000) 7.004 7.021 ( 3.332 -0.682 0.000) 3.401 7.022 ( 6.112 -5.482 0.000) 8.211 7.173 ( 2.330 -1.897 0.000) 3.005 7.269 ( -1.047 -2.089 0.000) 2.337 7.428 ( -2.337 -8.780 0.000) 9.086 7.467 ( -8.092 -3.152 0.000) 8.684 7.613 ( -0.639 0.109 0.000) 0.648 7.620 ( -3.684 7.060 0.000) 7.963 8.148 ( 7.106 -6.676 0.000) 9.750 8.148 ( 6.292 -8.937 0.000) 10.930 8.338 ( 6.232 5.515 0.000) 8.322 8.407 ( 1.520 3.363 0.000) 3.691 8.628 ( -6.224 -3.602 0.000) 7.191 8.652 ( -6.551 1.164 0.000) 6.653 8.835 ( 3.984 0.319 0.000) 3.997 8.856 ( 3.201 -0.164 0.000) 3.205 8.880 ( 4.749 -0.433 0.000) 4.769 9.011 ( -6.855 -0.031 0.000) 6.855 9.111 ( 0.973 -1.595 0.000) 1.868 9.386 ( 0.475 0.433 0.000) 0.643 9.419 ( -1.108 1.701 0.000) 2.030 9.508 ( -11.675 0.414 0.000) 11.682 9.766 ( 4.960 1.908 0.000) 5.315 9.992 ( -3.625 -5.622 0.000) 6.689 10.245 ( 1.420 -2.127 0.000) 2.557 10.296 ( -1.992 -5.432 0.000) 5.786 10.547 ( 2.559 -5.844 0.000) 6.379 10.641 ( 2.139 -7.654 0.000) 7.947 10.700 ( 4.885 -6.504 0.000) 8.134 10.770 ( -4.549 -7.434 0.000) 8.715 10.895 ( -0.222 -6.348 0.000) 6.352 11.046 ( -5.641 -10.671 0.000) 12.071 12.504 ( 1.842 -1.260 0.000) 2.232 12.532 ( 0.488 -0.121 0.000) 0.503 12.558 ( 0.030 -2.901 0.000) 2.901 12.579 ( -1.014 -2.933 0.000) 3.103 ======================= Grid point 40 (25/80) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -4.722 13.094 0.000) 13.920 2.432 ( 4.722 13.094 0.000) 13.920 2.670 ( -5.412 9.804 0.000) 11.198 2.670 ( 5.412 9.804 0.000) 11.198 2.728 ( -5.364 12.155 0.000) 13.286 2.728 ( 5.364 12.155 0.000) 13.286 3.148 ( -4.629 -1.148 0.000) 4.769 3.148 ( 4.629 -1.148 0.000) 4.769 3.367 ( -2.096 14.780 0.000) 14.928 3.367 ( 2.096 14.780 0.000) 14.928 3.521 ( -4.121 10.445 0.000) 11.229 3.521 ( 4.121 10.445 0.000) 11.229 3.790 ( -0.094 4.811 0.000) 4.812 3.790 ( 0.094 4.811 0.000) 4.812 4.090 ( -6.809 7.962 0.000) 10.476 4.090 ( 6.809 7.962 0.000) 10.476 4.389 ( -4.387 14.382 0.000) 15.037 4.389 ( 4.387 14.382 0.000) 15.037 4.631 ( -1.277 5.650 0.000) 5.792 4.631 ( 1.277 5.650 0.000) 5.792 5.009 ( -2.716 7.022 0.000) 7.529 5.009 ( 2.716 7.022 0.000) 7.529 5.193 ( -0.042 2.620 0.000) 2.620 5.193 ( 0.042 2.620 0.000) 2.620 5.283 ( -5.808 -2.218 0.000) 6.218 5.283 ( 5.808 -2.218 0.000) 6.218 5.652 ( -4.622 3.532 0.000) 5.817 5.652 ( 4.622 3.532 0.000) 5.817 6.023 ( -6.766 -10.705 0.000) 12.664 6.023 ( 6.766 -10.705 0.000) 12.664 6.181 ( -1.281 -3.257 0.000) 3.500 6.181 ( 1.281 -3.257 0.000) 3.500 6.457 ( -1.455 -5.830 0.000) 6.009 6.457 ( 1.455 -5.830 0.000) 6.009 6.554 ( -1.758 -8.684 0.000) 8.860 6.554 ( 1.758 -8.684 0.000) 8.860 7.092 ( -1.379 -1.830 0.000) 2.291 7.092 ( 1.379 -1.830 0.000) 2.291 7.227 ( -3.023 -4.924 0.000) 5.778 7.227 ( 3.023 -4.924 0.000) 5.778 7.374 ( -0.445 -2.830 0.000) 2.864 7.374 ( 0.445 -2.830 0.000) 2.864 7.598 ( -0.607 1.099 0.000) 1.256 7.598 ( 0.607 1.099 0.000) 1.256 8.234 ( -0.082 -8.364 0.000) 8.364 8.234 ( 0.082 -8.364 0.000) 8.364 8.471 ( -5.342 -2.946 0.000) 6.101 8.471 ( 5.342 -2.946 0.000) 6.101 8.490 ( -7.521 8.721 0.000) 11.516 8.490 ( 7.521 8.721 0.000) 11.516 8.891 ( -0.105 -0.547 0.000) 0.557 8.891 ( 0.105 -0.547 0.000) 0.557 8.928 ( -2.073 -1.289 0.000) 2.441 8.928 ( 2.073 -1.289 0.000) 2.441 9.251 ( -11.591 -1.270 0.000) 11.661 9.251 ( 11.591 -1.270 0.000) 11.661 9.400 ( -0.852 1.752 0.000) 1.948 9.400 ( 0.852 1.752 0.000) 1.948 9.890 ( -6.329 -2.553 0.000) 6.825 9.890 ( 6.329 -2.553 0.000) 6.825 10.268 ( -0.899 -2.482 0.000) 2.640 10.268 ( 0.899 -2.482 0.000) 2.640 10.610 ( -3.584 -6.991 0.000) 7.857 10.610 ( 3.584 -6.991 0.000) 7.857 10.756 ( -0.429 -7.974 0.000) 7.986 10.756 ( 0.429 -7.974 0.000) 7.986 10.931 ( -4.684 -8.114 0.000) 9.369 10.931 ( 4.684 -8.114 0.000) 9.369 12.535 ( -0.726 -0.372 0.000) 0.816 12.535 ( 0.726 -0.372 0.000) 0.816 12.559 ( -0.509 -3.241 0.000) 3.280 12.559 ( 0.509 -3.241 0.000) 3.280 ======================= Grid point 45 (26/80) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 0.000 23.891 0.000) 23.891 2.491 ( 0.000 14.599 0.000) 14.599 2.640 ( 0.000 25.704 0.000) 25.704 2.801 ( 0.000 20.551 0.000) 20.551 2.813 ( 0.000 3.886 0.000) 3.886 3.119 ( 0.000 14.375 0.000) 14.375 3.393 ( 0.000 3.850 0.000) 3.850 3.449 ( 0.000 6.448 0.000) 6.448 3.646 ( 0.000 1.868 0.000) 1.868 3.699 ( 0.000 7.947 0.000) 7.947 4.013 ( 0.000 -4.436 0.000) 4.436 4.028 ( 0.000 -10.350 0.000) 10.350 4.194 ( 0.000 -2.430 0.000) 2.430 4.281 ( 0.000 0.442 0.000) 0.442 4.308 ( 0.000 26.835 0.000) 26.835 4.354 ( 0.000 -2.044 0.000) 2.044 4.548 ( 0.000 18.341 0.000) 18.341 4.690 ( 0.000 -13.197 0.000) 13.197 4.908 ( 0.000 21.287 0.000) 21.287 4.945 ( 0.000 15.021 0.000) 15.021 5.094 ( 0.000 -7.044 0.000) 7.044 5.217 ( 0.000 -5.719 0.000) 5.719 5.240 ( 0.000 12.092 0.000) 12.092 5.295 ( 0.000 -3.129 0.000) 3.129 5.326 ( 0.000 -5.558 0.000) 5.558 5.366 ( 0.000 0.938 0.000) 0.938 5.513 ( 0.000 -3.665 0.000) 3.665 5.534 ( 0.000 -3.650 0.000) 3.650 5.600 ( 0.000 5.649 0.000) 5.649 5.742 ( 0.000 -8.617 0.000) 8.617 5.777 ( 0.000 -9.229 0.000) 9.229 5.959 ( 0.000 -4.448 0.000) 4.448 6.147 ( 0.000 -8.901 0.000) 8.901 6.300 ( 0.000 -10.999 0.000) 10.999 6.302 ( 0.000 -9.145 0.000) 9.145 6.367 ( 0.000 -7.958 0.000) 7.958 6.634 ( 0.000 -2.131 0.000) 2.131 6.882 ( 0.000 0.329 0.000) 0.329 7.460 ( 0.000 -5.879 0.000) 5.879 7.480 ( 0.000 -6.923 0.000) 6.923 7.515 ( 0.000 1.836 0.000) 1.836 7.585 ( 0.000 1.767 0.000) 1.767 7.810 ( 0.000 -4.124 0.000) 4.124 7.816 ( 0.000 -5.344 0.000) 5.344 8.030 ( 0.000 5.205 0.000) 5.205 8.053 ( 0.000 7.294 0.000) 7.294 8.096 ( 0.000 -2.198 0.000) 2.198 8.236 ( 0.000 -1.881 0.000) 1.881 8.319 ( 0.000 5.782 0.000) 5.782 8.445 ( 0.000 -0.727 0.000) 0.727 8.529 ( 0.000 -0.029 0.000) 0.029 8.716 ( 0.000 4.428 0.000) 4.428 8.769 ( 0.000 2.961 0.000) 2.961 9.186 ( 0.000 -2.030 0.000) 2.030 9.227 ( 0.000 -7.278 0.000) 7.278 9.636 ( 0.000 2.879 0.000) 2.879 9.680 ( 0.000 4.079 0.000) 4.079 9.707 ( 0.000 2.972 0.000) 2.972 9.759 ( 0.000 2.419 0.000) 2.419 9.923 ( 0.000 -5.462 0.000) 5.462 10.116 ( 0.000 -3.196 0.000) 3.196 10.300 ( 0.000 -5.974 0.000) 5.974 10.320 ( 0.000 -9.881 0.000) 9.881 10.638 ( 0.000 0.321 0.000) 0.321 10.680 ( 0.000 -1.365 0.000) 1.365 10.725 ( 0.000 -5.578 0.000) 5.578 10.816 ( 0.000 -5.660 0.000) 5.660 10.852 ( 0.000 -16.787 0.000) 16.787 12.414 ( 0.000 -1.606 0.000) 1.606 12.469 ( 0.000 -3.351 0.000) 3.351 12.534 ( 0.000 -0.556 0.000) 0.556 12.535 ( 0.000 -2.396 0.000) 2.396 ======================= Grid point 46 (27/80) ======================= q-point: ( 0.12 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 3.594 22.653 0.000) 22.936 2.535 ( 4.210 13.931 0.000) 14.554 2.615 ( -1.953 24.455 0.000) 24.533 2.784 ( -1.203 18.872 0.000) 18.911 2.815 ( 0.227 4.260 0.000) 4.266 3.141 ( 1.430 13.384 0.000) 13.460 3.396 ( 0.027 4.694 0.000) 4.695 3.413 ( -2.822 6.635 0.000) 7.210 3.604 ( -3.767 2.375 0.000) 4.454 3.708 ( 0.912 8.183 0.000) 8.234 3.918 ( -8.144 -4.414 0.000) 9.263 4.016 ( -3.607 -10.752 0.000) 11.341 4.037 ( -7.923 0.903 0.000) 7.975 4.253 ( -1.370 15.596 0.000) 15.656 4.367 ( 4.089 0.535 0.000) 4.124 4.495 ( -4.284 11.450 0.000) 12.225 4.557 ( 10.219 5.135 0.000) 11.437 4.651 ( -0.979 -2.857 0.000) 3.020 4.784 ( -10.374 11.237 0.000) 15.293 4.939 ( 0.152 16.678 0.000) 16.679 5.003 ( -11.401 -5.387 0.000) 12.610 5.131 ( -3.851 -0.703 0.000) 3.915 5.234 ( -2.712 2.260 0.000) 3.530 5.316 ( 5.597 6.912 0.000) 8.894 5.344 ( -0.876 6.087 0.000) 6.149 5.407 ( 4.571 -7.511 0.000) 8.793 5.502 ( -0.778 -2.619 0.000) 2.732 5.519 ( -1.129 -3.673 0.000) 3.843 5.701 ( 7.389 -1.560 0.000) 7.551 5.750 ( 1.523 -7.727 0.000) 7.875 5.855 ( 4.762 -5.246 0.000) 7.085 5.966 ( 1.392 -5.460 0.000) 5.634 6.185 ( 3.251 -9.195 0.000) 9.753 6.256 ( -0.579 -7.312 0.000) 7.335 6.373 ( 0.423 -8.078 0.000) 8.089 6.407 ( 5.615 -10.729 0.000) 12.110 6.676 ( 4.106 -1.798 0.000) 4.483 6.906 ( 2.183 0.449 0.000) 2.229 7.392 ( -8.304 4.079 0.000) 9.252 7.411 ( -4.263 -5.740 0.000) 7.150 7.470 ( -2.759 -8.148 0.000) 8.603 7.492 ( -7.612 3.022 0.000) 8.190 7.789 ( 0.127 -7.190 0.000) 7.191 7.806 ( 0.601 -6.946 0.000) 6.972 7.978 ( -4.348 6.023 0.000) 7.428 7.995 ( -3.979 7.734 0.000) 8.697 8.190 ( 4.296 2.161 0.000) 4.808 8.330 ( 5.673 -0.293 0.000) 5.681 8.383 ( 8.499 1.578 0.000) 8.645 8.564 ( 8.793 -1.842 0.000) 8.984 8.578 ( 4.410 0.103 0.000) 4.411 8.739 ( 2.225 3.993 0.000) 4.571 8.811 ( 3.195 3.401 0.000) 4.666 9.166 ( -1.964 -2.319 0.000) 3.039 9.243 ( 1.362 -7.039 0.000) 7.169 9.529 ( -7.775 3.068 0.000) 8.359 9.612 ( -6.932 4.127 0.000) 8.067 9.718 ( 1.515 3.183 0.000) 3.525 9.779 ( 0.590 2.588 0.000) 2.654 9.936 ( 0.472 -7.206 0.000) 7.222 10.126 ( 0.968 -3.272 0.000) 3.412 10.255 ( -5.247 -8.127 0.000) 9.674 10.327 ( 2.121 -6.872 0.000) 7.192 10.586 ( -3.234 -0.989 0.000) 3.382 10.607 ( -5.697 -3.891 0.000) 6.899 10.761 ( 1.846 -5.171 0.000) 5.491 10.783 ( -2.054 -8.876 0.000) 9.110 10.900 ( 2.013 -11.235 0.000) 11.414 12.421 ( 0.768 -1.406 0.000) 1.602 12.478 ( 0.808 -3.128 0.000) 3.230 12.531 ( -0.164 -0.350 0.000) 0.387 12.540 ( 0.354 -2.287 0.000) 2.314 ======================= Grid point 47 (28/80) ======================= q-point: ( 0.25 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 6.451 19.506 0.000) 20.545 2.586 ( 0.085 20.019 0.000) 20.019 2.656 ( 6.882 11.906 0.000) 13.752 2.775 ( 0.849 15.137 0.000) 15.161 2.823 ( 0.748 6.371 0.000) 6.415 3.135 ( -3.234 8.324 0.000) 8.931 3.366 ( -1.430 6.423 0.000) 6.581 3.374 ( -2.649 6.484 0.000) 7.004 3.526 ( -3.038 3.494 0.000) 4.630 3.710 ( -11.654 -3.770 0.000) 12.249 3.738 ( 2.111 9.880 0.000) 10.103 3.835 ( -7.059 3.980 0.000) 8.103 3.970 ( -5.353 -5.610 0.000) 7.754 4.214 ( -3.190 11.568 0.000) 12.000 4.341 ( -7.947 8.687 0.000) 11.774 4.424 ( 1.396 1.662 0.000) 2.171 4.599 ( -5.127 1.798 0.000) 5.433 4.657 ( 0.678 3.731 0.000) 3.792 4.686 ( -17.219 -3.036 0.000) 17.484 4.722 ( 2.343 -1.220 0.000) 2.641 5.013 ( 8.209 20.549 0.000) 22.128 5.084 ( -1.253 2.837 0.000) 3.102 5.192 ( -0.944 7.235 0.000) 7.296 5.339 ( -0.752 6.939 0.000) 6.980 5.381 ( -2.714 -0.389 0.000) 2.742 5.482 ( -1.252 -2.587 0.000) 2.874 5.490 ( 6.043 -9.396 0.000) 11.172 5.538 ( 3.827 2.227 0.000) 4.428 5.785 ( 0.651 -1.836 0.000) 1.948 5.839 ( 7.109 -7.477 0.000) 10.317 5.931 ( 2.551 -4.511 0.000) 5.183 6.035 ( 4.589 -5.561 0.000) 7.210 6.255 ( 3.235 -9.599 0.000) 10.130 6.271 ( 1.984 -4.993 0.000) 5.373 6.377 ( -0.186 -7.486 0.000) 7.488 6.486 ( 1.323 -7.989 0.000) 8.098 6.791 ( 6.799 -2.105 0.000) 7.117 6.962 ( 3.134 0.807 0.000) 3.236 7.248 ( -4.371 5.936 0.000) 7.372 7.309 ( -5.546 -5.339 0.000) 7.698 7.361 ( -3.993 1.917 0.000) 4.430 7.392 ( -4.880 -10.540 0.000) 11.614 7.832 ( 0.455 0.342 0.000) 0.569 7.842 ( 2.201 -6.218 0.000) 6.596 7.876 ( -1.383 -0.606 0.000) 1.510 7.911 ( -3.422 6.062 0.000) 6.961 8.297 ( 5.826 2.902 0.000) 6.508 8.410 ( 1.943 -0.262 0.000) 1.960 8.549 ( 6.293 -0.661 0.000) 6.328 8.672 ( 4.040 0.877 0.000) 4.134 8.744 ( 7.916 -1.945 0.000) 8.151 8.800 ( 3.514 2.742 0.000) 4.457 8.863 ( 1.784 4.811 0.000) 5.131 9.111 ( -2.981 -2.544 0.000) 3.919 9.217 ( -6.608 -0.984 0.000) 6.681 9.409 ( -1.198 -0.816 0.000) 1.449 9.478 ( -5.214 5.326 0.000) 7.454 9.704 ( -4.956 0.630 0.000) 4.996 9.786 ( 0.469 3.080 0.000) 3.116 9.904 ( -2.587 -8.470 0.000) 8.856 10.153 ( 1.691 -3.329 0.000) 3.734 10.187 ( -0.238 -5.188 0.000) 5.194 10.367 ( 1.687 -8.489 0.000) 8.655 10.498 ( -4.265 -7.097 0.000) 8.280 10.545 ( -0.499 -2.882 0.000) 2.925 10.722 ( -3.978 -7.227 0.000) 8.249 10.777 ( -0.267 -6.267 0.000) 6.272 10.905 ( -1.557 -10.326 0.000) 10.442 12.445 ( 1.559 -1.077 0.000) 1.894 12.498 ( 1.054 -2.486 0.000) 2.700 12.528 ( -0.125 -0.235 0.000) 0.266 12.546 ( 0.138 -1.791 0.000) 1.796 ======================= Grid point 48 (29/80) ======================= q-point: ( 0.38 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 6.366 15.813 0.000) 17.046 2.629 ( 4.164 14.471 0.000) 15.058 2.749 ( 0.696 6.231 0.000) 6.270 2.842 ( 6.264 10.133 0.000) 11.912 2.900 ( 8.067 12.758 0.000) 15.095 2.994 ( -9.703 4.181 0.000) 10.565 3.282 ( -6.435 7.411 0.000) 9.815 3.303 ( -8.787 0.961 0.000) 8.840 3.476 ( -0.133 1.282 0.000) 1.289 3.566 ( 0.932 6.402 0.000) 6.470 3.715 ( -4.590 10.712 0.000) 11.654 3.800 ( -7.681 -3.492 0.000) 8.438 3.837 ( 3.802 13.115 0.000) 13.655 4.113 ( -6.563 11.748 0.000) 13.457 4.213 ( -4.272 6.644 0.000) 7.899 4.341 ( -12.081 -2.732 0.000) 12.386 4.482 ( 2.221 3.905 0.000) 4.492 4.591 ( 2.287 -2.807 0.000) 3.621 4.641 ( -2.430 3.781 0.000) 4.495 4.703 ( -2.509 -2.176 0.000) 3.321 5.079 ( 0.990 3.355 0.000) 3.498 5.157 ( 3.012 11.448 0.000) 11.837 5.225 ( 2.271 6.685 0.000) 7.060 5.292 ( -1.580 4.165 0.000) 4.455 5.301 ( -2.793 7.696 0.000) 8.187 5.444 ( -2.672 -1.091 0.000) 2.886 5.616 ( 5.579 -1.962 0.000) 5.914 5.667 ( 8.491 -3.549 0.000) 9.203 5.770 ( -1.718 -0.473 0.000) 1.782 5.939 ( -2.098 -5.803 0.000) 6.171 5.999 ( 7.471 -6.382 0.000) 9.826 6.104 ( 1.804 -4.932 0.000) 5.252 6.313 ( 2.698 -9.375 0.000) 9.755 6.322 ( 2.365 -3.056 0.000) 3.865 6.365 ( -0.776 -5.758 0.000) 5.810 6.457 ( -3.534 -6.104 0.000) 7.053 6.934 ( 6.792 -3.370 0.000) 7.582 7.027 ( 3.082 0.283 0.000) 3.095 7.206 ( -4.271 -5.630 0.000) 7.067 7.223 ( 0.943 6.321 0.000) 6.391 7.282 ( -5.261 -10.739 0.000) 11.959 7.316 ( -1.297 0.383 0.000) 1.353 7.758 ( -2.951 9.660 0.000) 10.101 7.797 ( -4.056 9.709 0.000) 10.523 7.961 ( 5.737 -9.892 0.000) 11.435 7.978 ( 6.250 -9.900 0.000) 11.708 8.378 ( 0.780 -3.150 0.000) 3.245 8.404 ( -2.297 -3.729 0.000) 4.380 8.636 ( 3.326 5.126 0.000) 6.110 8.726 ( 1.116 6.267 0.000) 6.366 8.864 ( 3.194 2.220 0.000) 3.890 8.877 ( 4.378 -0.068 0.000) 4.378 8.893 ( 1.270 3.565 0.000) 3.784 9.042 ( -8.196 2.640 0.000) 8.610 9.079 ( 1.193 -1.821 0.000) 2.177 9.422 ( -0.606 3.467 0.000) 3.519 9.424 ( 0.777 -1.138 0.000) 1.378 9.489 ( -13.883 -2.498 0.000) 14.106 9.810 ( 1.981 2.242 0.000) 2.992 9.887 ( -0.315 -3.991 0.000) 4.003 10.191 ( 1.791 -3.157 0.000) 3.630 10.205 ( 0.890 -3.931 0.000) 4.030 10.399 ( 1.512 -9.333 0.000) 9.454 10.452 ( -0.519 -10.740 0.000) 10.753 10.562 ( 1.894 -6.369 0.000) 6.644 10.637 ( -3.746 -5.936 0.000) 7.019 10.758 ( -1.107 -7.355 0.000) 7.438 10.844 ( -4.078 -9.866 0.000) 10.676 12.481 ( 1.849 -0.993 0.000) 2.099 12.517 ( 0.751 -1.574 0.000) 1.744 12.526 ( -0.158 -0.686 0.000) 0.704 12.542 ( -0.536 -1.002 0.000) 1.137 ======================= Grid point 49 (30/80) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -2.371 11.809 0.000) 12.045 2.679 ( 2.371 11.809 0.000) 12.045 2.799 ( -7.777 6.722 0.000) 10.279 2.799 ( 7.777 6.722 0.000) 10.279 3.017 ( -6.896 11.126 0.000) 13.090 3.017 ( 6.896 11.126 0.000) 13.090 3.134 ( -4.316 1.866 0.000) 4.702 3.134 ( 4.316 1.866 0.000) 4.702 3.571 ( -7.660 1.845 0.000) 7.879 3.571 ( 7.660 1.845 0.000) 7.879 3.656 ( -6.161 10.224 0.000) 11.937 3.656 ( 6.161 10.224 0.000) 11.937 3.968 ( -7.292 11.740 0.000) 13.820 3.968 ( 7.292 11.740 0.000) 13.820 4.185 ( -2.423 2.063 0.000) 3.183 4.185 ( 2.423 2.063 0.000) 3.183 4.565 ( -4.633 3.828 0.000) 6.009 4.565 ( 4.633 3.828 0.000) 6.009 4.647 ( -2.902 -3.376 0.000) 4.452 4.647 ( 2.902 -3.376 0.000) 4.452 5.131 ( -3.908 3.893 0.000) 5.517 5.131 ( 3.908 3.893 0.000) 5.517 5.238 ( -2.949 6.573 0.000) 7.204 5.238 ( 2.949 6.573 0.000) 7.204 5.372 ( -4.416 4.149 0.000) 6.059 5.372 ( 4.416 4.149 0.000) 6.059 5.714 ( -3.829 1.291 0.000) 4.040 5.714 ( 3.829 1.291 0.000) 4.040 5.839 ( -7.470 -5.769 0.000) 9.438 5.839 ( 7.470 -5.769 0.000) 9.438 6.103 ( -2.335 -5.384 0.000) 5.869 6.103 ( 2.335 -5.384 0.000) 5.869 6.351 ( -0.682 -3.629 0.000) 3.692 6.351 ( 0.682 -3.629 0.000) 3.692 6.377 ( -3.730 -7.563 0.000) 8.433 6.377 ( 3.730 -7.563 0.000) 8.433 7.045 ( -3.101 -3.742 0.000) 4.860 7.045 ( 3.101 -3.742 0.000) 4.860 7.173 ( -2.601 -4.321 0.000) 5.044 7.173 ( 2.601 -4.321 0.000) 5.044 7.281 ( -2.352 1.170 0.000) 2.627 7.281 ( 2.352 1.170 0.000) 2.627 7.739 ( -1.144 9.597 0.000) 9.665 7.739 ( 1.144 9.597 0.000) 9.665 8.050 ( -0.912 -10.332 0.000) 10.372 8.050 ( 0.912 -10.332 0.000) 10.372 8.360 ( -0.260 -6.278 0.000) 6.284 8.360 ( 0.260 -6.278 0.000) 6.284 8.708 ( -2.926 10.861 0.000) 11.248 8.708 ( 2.926 10.861 0.000) 11.248 8.908 ( -0.387 2.415 0.000) 2.446 8.908 ( 0.387 2.415 0.000) 2.446 8.927 ( -2.803 0.790 0.000) 2.913 8.927 ( 2.803 0.790 0.000) 2.913 9.216 ( -11.585 -2.359 0.000) 11.822 9.216 ( 11.585 -2.359 0.000) 11.822 9.426 ( -0.417 1.184 0.000) 1.255 9.426 ( 0.417 1.184 0.000) 1.255 9.859 ( -2.357 -0.661 0.000) 2.448 9.859 ( 2.357 -0.661 0.000) 2.448 10.213 ( -0.231 -2.974 0.000) 2.983 10.213 ( 0.231 -2.974 0.000) 2.983 10.434 ( -1.762 -10.656 0.000) 10.800 10.434 ( 1.762 -10.656 0.000) 10.800 10.594 ( -0.922 -7.572 0.000) 7.628 10.594 ( 0.922 -7.572 0.000) 7.628 10.766 ( -2.593 -8.439 0.000) 8.829 10.766 ( 2.593 -8.439 0.000) 8.829 12.514 ( -1.218 -1.320 0.000) 1.796 12.514 ( 1.218 -1.320 0.000) 1.796 12.529 ( -0.527 -0.564 0.000) 0.772 12.529 ( 0.527 -0.564 0.000) 0.772 ======================= Grid point 54 (31/80) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 0.000 9.911 0.000) 9.911 2.764 ( 0.000 23.013 0.000) 23.013 2.872 ( 0.000 1.770 0.000) 1.770 3.119 ( 0.000 23.018 0.000) 23.018 3.158 ( 0.000 15.151 0.000) 15.151 3.349 ( 0.000 6.799 0.000) 6.799 3.432 ( 0.000 -2.294 0.000) 2.294 3.560 ( 0.000 4.203 0.000) 4.203 3.669 ( 0.000 0.701 0.000) 0.701 3.810 ( 0.000 -6.400 0.000) 6.400 3.826 ( 0.000 5.262 0.000) 5.262 3.868 ( 0.000 -10.572 0.000) 10.572 4.133 ( 0.000 -4.431 0.000) 4.431 4.199 ( 0.000 -8.150 0.000) 8.150 4.324 ( 0.000 -0.742 0.000) 0.742 4.451 ( 0.000 -8.921 0.000) 8.921 4.725 ( 0.000 13.890 0.000) 13.890 4.822 ( 0.000 8.904 0.000) 8.904 5.007 ( 0.000 -2.093 0.000) 2.093 5.058 ( 0.000 -4.395 0.000) 4.395 5.185 ( 0.000 7.862 0.000) 7.862 5.226 ( 0.000 -3.642 0.000) 3.642 5.266 ( 0.000 1.429 0.000) 1.429 5.333 ( 0.000 15.942 0.000) 15.942 5.339 ( 0.000 0.173 0.000) 0.173 5.390 ( 0.000 3.889 0.000) 3.889 5.481 ( 0.000 -2.231 0.000) 2.231 5.517 ( 0.000 3.323 0.000) 3.323 5.579 ( 0.000 -7.330 0.000) 7.330 5.589 ( 0.000 -9.561 0.000) 9.561 5.689 ( 0.000 0.396 0.000) 0.396 5.807 ( 0.000 -10.295 0.000) 10.295 6.052 ( 0.000 -0.822 0.000) 0.822 6.145 ( 0.000 -4.646 0.000) 4.646 6.165 ( 0.000 -4.436 0.000) 4.436 6.220 ( 0.000 -7.054 0.000) 7.054 6.726 ( 0.000 10.323 0.000) 10.323 6.954 ( 0.000 6.479 0.000) 6.479 7.267 ( 0.000 -13.773 0.000) 13.773 7.302 ( 0.000 -9.519 0.000) 9.519 7.568 ( 0.000 3.447 0.000) 3.447 7.631 ( 0.000 2.728 0.000) 2.728 7.720 ( 0.000 -4.278 0.000) 4.278 7.744 ( 0.000 -3.003 0.000) 3.003 8.082 ( 0.000 0.552 0.000) 0.552 8.099 ( 0.000 1.690 0.000) 1.690 8.165 ( 0.000 4.037 0.000) 4.037 8.219 ( 0.000 -0.173 0.000) 0.173 8.415 ( 0.000 3.611 0.000) 3.611 8.452 ( 0.000 0.765 0.000) 0.765 8.566 ( 0.000 3.813 0.000) 3.813 8.777 ( 0.000 -3.290 0.000) 3.290 8.838 ( 0.000 7.564 0.000) 7.564 9.116 ( 0.000 -5.133 0.000) 5.133 9.181 ( 0.000 3.963 0.000) 3.963 9.594 ( 0.000 -9.485 0.000) 9.485 9.757 ( 0.000 3.602 0.000) 3.602 9.759 ( 0.000 2.299 0.000) 2.299 9.792 ( 0.000 0.861 0.000) 0.861 9.822 ( 0.000 -1.701 0.000) 1.701 10.070 ( 0.000 -1.079 0.000) 1.079 10.175 ( 0.000 -6.110 0.000) 6.110 10.206 ( 0.000 -0.981 0.000) 0.981 10.508 ( 0.000 -14.116 0.000) 14.116 10.634 ( 0.000 -0.492 0.000) 0.492 10.651 ( 0.000 -2.220 0.000) 2.220 10.699 ( 0.000 -0.396 0.000) 0.396 10.746 ( 0.000 -2.392 0.000) 2.392 12.388 ( 0.000 -0.906 0.000) 0.906 12.413 ( 0.000 -2.284 0.000) 2.284 12.501 ( 0.000 -1.018 0.000) 1.018 12.515 ( 0.000 -1.199 0.000) 1.199 ======================= Grid point 55 (32/80) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 2.549 9.078 0.000) 9.429 2.776 ( 1.173 21.633 0.000) 21.665 2.883 ( 1.144 2.181 0.000) 2.463 3.070 ( -4.269 21.835 0.000) 22.249 3.101 ( -4.404 12.807 0.000) 13.543 3.329 ( -2.787 3.725 0.000) 4.652 3.465 ( 1.968 -1.234 0.000) 2.323 3.521 ( -3.247 3.663 0.000) 4.895 3.637 ( -2.687 1.132 0.000) 2.915 3.783 ( -7.314 -9.383 0.000) 11.897 3.783 ( -0.191 -0.047 0.000) 0.197 3.878 ( 2.844 2.075 0.000) 3.521 4.035 ( -4.271 -0.708 0.000) 4.329 4.294 ( 4.662 -7.963 0.000) 9.227 4.352 ( 1.262 -0.051 0.000) 1.263 4.439 ( -1.225 -6.347 0.000) 6.464 4.742 ( 0.817 9.747 0.000) 9.781 4.807 ( -1.190 8.227 0.000) 8.313 4.844 ( -14.981 -1.415 0.000) 15.048 4.892 ( -12.007 -4.811 0.000) 12.935 5.224 ( -2.815 6.478 0.000) 7.063 5.230 ( 4.740 7.247 0.000) 8.659 5.254 ( 1.780 -1.200 0.000) 2.147 5.266 ( 0.853 1.304 0.000) 1.558 5.404 ( 0.045 1.360 0.000) 1.361 5.426 ( -0.895 2.228 0.000) 2.401 5.499 ( -1.954 1.059 0.000) 2.223 5.501 ( 3.409 0.654 0.000) 3.471 5.603 ( 2.074 -7.003 0.000) 7.304 5.658 ( 8.312 -0.276 0.000) 8.317 5.795 ( 3.453 -6.517 0.000) 7.375 5.811 ( 3.528 -5.456 0.000) 6.497 6.077 ( 2.228 -1.660 0.000) 2.778 6.165 ( 2.806 -1.702 0.000) 3.282 6.227 ( 0.702 -6.876 0.000) 6.912 6.257 ( 6.974 -5.046 0.000) 8.608 6.757 ( 2.870 9.242 0.000) 9.677 6.972 ( 1.636 5.853 0.000) 6.077 7.255 ( -1.645 -12.681 0.000) 12.787 7.275 ( -2.726 -7.924 0.000) 8.379 7.486 ( -6.713 4.408 0.000) 8.031 7.551 ( -6.619 2.985 0.000) 7.261 7.659 ( -2.706 -5.430 0.000) 6.067 7.690 ( -2.922 -4.868 0.000) 5.678 8.084 ( -0.846 4.556 0.000) 4.634 8.135 ( -1.925 6.461 0.000) 6.742 8.198 ( 5.985 -1.099 0.000) 6.085 8.309 ( 4.821 -2.144 0.000) 5.276 8.444 ( 4.971 3.603 0.000) 6.139 8.535 ( 6.537 -1.286 0.000) 6.662 8.620 ( 5.043 4.243 0.000) 6.590 8.838 ( 5.466 -2.424 0.000) 5.979 8.846 ( 0.801 6.513 0.000) 6.562 9.094 ( -2.015 -4.944 0.000) 5.339 9.179 ( -0.133 2.590 0.000) 2.594 9.527 ( -6.039 -6.078 0.000) 8.568 9.700 ( -4.415 4.588 0.000) 6.368 9.744 ( -1.701 0.085 0.000) 1.703 9.807 ( 0.535 0.047 0.000) 0.538 9.815 ( -0.648 -2.038 0.000) 2.138 10.077 ( 0.741 -1.320 0.000) 1.513 10.175 ( -2.496 0.001 0.000) 2.496 10.185 ( 0.796 -6.763 0.000) 6.810 10.446 ( -5.169 -11.377 0.000) 12.496 10.579 ( -3.316 0.526 0.000) 3.357 10.673 ( 0.278 -3.918 0.000) 3.927 10.682 ( -1.570 -1.184 0.000) 1.967 10.760 ( 0.344 -4.532 0.000) 4.545 12.399 ( 1.113 -0.724 0.000) 1.328 12.426 ( 1.182 -2.139 0.000) 2.444 12.507 ( 0.550 -0.975 0.000) 1.119 12.517 ( 0.207 -0.958 0.000) 0.980 ======================= Grid point 56 (33/80) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 2.489 17.704 0.000) 17.878 2.823 ( 2.673 6.883 0.000) 7.384 2.928 ( 3.701 3.047 0.000) 4.794 2.975 ( -4.398 18.276 0.000) 18.798 3.017 ( -3.392 9.467 0.000) 10.056 3.222 ( -7.448 0.778 0.000) 7.489 3.441 ( -5.295 -0.498 0.000) 5.318 3.460 ( -2.889 -3.711 0.000) 4.703 3.583 ( -3.394 1.755 0.000) 3.821 3.632 ( -3.931 -2.402 0.000) 4.607 3.805 ( 1.138 6.131 0.000) 6.236 3.935 ( 3.130 6.631 0.000) 7.333 4.007 ( 1.185 5.046 0.000) 5.184 4.342 ( -2.079 2.102 0.000) 2.956 4.352 ( 0.218 -8.788 0.000) 8.790 4.399 ( -2.920 -0.709 0.000) 3.004 4.569 ( -10.175 -2.853 0.000) 10.568 4.599 ( -14.085 -4.775 0.000) 14.872 4.701 ( -4.501 3.614 0.000) 5.772 4.790 ( -1.631 4.042 0.000) 4.359 5.183 ( -1.522 5.677 0.000) 5.877 5.258 ( 0.215 0.899 0.000) 0.925 5.313 ( 1.854 -4.513 0.000) 4.879 5.362 ( 2.027 7.198 0.000) 7.478 5.402 ( -1.333 -3.430 0.000) 3.680 5.416 ( 7.079 7.193 0.000) 10.092 5.471 ( -0.975 4.413 0.000) 4.519 5.585 ( 3.229 0.598 0.000) 3.284 5.695 ( 7.764 -6.759 0.000) 10.294 5.711 ( -0.413 -5.513 0.000) 5.529 5.872 ( 1.598 -2.664 0.000) 3.106 5.919 ( 6.199 -4.398 0.000) 7.600 6.132 ( 3.002 -2.488 0.000) 3.899 6.248 ( 4.864 2.253 0.000) 5.360 6.250 ( 1.608 -5.636 0.000) 5.861 6.387 ( 4.446 -3.180 0.000) 5.466 6.829 ( 3.817 5.714 0.000) 6.872 7.009 ( 1.670 3.722 0.000) 4.079 7.187 ( -4.738 -10.330 0.000) 11.365 7.195 ( -4.883 -5.484 0.000) 7.343 7.376 ( -2.706 6.738 0.000) 7.261 7.433 ( -3.749 4.564 0.000) 5.906 7.668 ( 3.578 -8.863 0.000) 9.558 7.679 ( 2.037 -8.150 0.000) 8.401 8.027 ( -4.091 8.285 0.000) 9.240 8.076 ( -3.903 8.515 0.000) 9.367 8.285 ( 1.966 -3.821 0.000) 4.297 8.352 ( -0.698 -5.063 0.000) 5.111 8.583 ( 7.866 3.422 0.000) 8.578 8.704 ( 9.276 -2.237 0.000) 9.542 8.747 ( 6.663 6.033 0.000) 8.988 8.870 ( 1.573 4.280 0.000) 4.560 8.944 ( 3.516 1.580 0.000) 3.854 9.047 ( -2.057 -3.951 0.000) 4.455 9.174 ( -1.120 -0.675 0.000) 1.308 9.394 ( -5.293 -3.348 0.000) 6.263 9.606 ( -4.448 7.327 0.000) 8.571 9.659 ( -7.063 -1.564 0.000) 7.234 9.805 ( -0.082 -3.246 0.000) 3.247 9.814 ( 0.274 -0.840 0.000) 0.883 10.100 ( 1.561 -1.672 0.000) 2.287 10.138 ( -0.552 0.287 0.000) 0.623 10.200 ( 0.713 -7.515 0.000) 7.549 10.338 ( -4.755 -8.422 0.000) 9.671 10.517 ( -2.529 0.288 0.000) 2.545 10.631 ( -3.464 -1.976 0.000) 3.988 10.657 ( -1.698 -5.847 0.000) 6.088 10.739 ( -2.457 -6.777 0.000) 7.209 12.430 ( 1.836 -0.402 0.000) 1.880 12.456 ( 1.709 -1.742 0.000) 2.441 12.516 ( 0.173 -0.626 0.000) 0.650 12.524 ( 0.423 -0.741 0.000) 0.853 ======================= Grid point 57 (34/80) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 1.249 7.194 0.000) 7.301 2.871 ( 2.539 12.975 0.000) 13.221 2.915 ( -0.959 12.460 0.000) 12.497 2.979 ( 0.415 4.682 0.000) 4.700 3.037 ( 6.521 0.946 0.000) 6.589 3.060 ( -7.533 2.813 0.000) 8.041 3.274 ( -9.801 -3.978 0.000) 10.578 3.359 ( -6.591 -3.768 0.000) 7.592 3.552 ( 1.898 6.213 0.000) 6.496 3.665 ( 5.230 3.053 0.000) 6.056 3.764 ( -5.336 7.842 0.000) 9.485 3.978 ( -1.848 10.765 0.000) 10.923 4.073 ( 5.279 10.723 0.000) 11.952 4.237 ( -7.109 -6.851 0.000) 9.873 4.283 ( -3.482 2.974 0.000) 4.579 4.319 ( -4.799 7.053 0.000) 8.531 4.467 ( 0.600 -5.282 0.000) 5.316 4.486 ( 1.127 -6.571 0.000) 6.667 4.596 ( -5.173 -3.111 0.000) 6.036 4.713 ( -5.701 -0.362 0.000) 5.712 5.166 ( 0.105 4.726 0.000) 4.727 5.247 ( -2.167 0.654 0.000) 2.263 5.319 ( 0.483 -1.625 0.000) 1.695 5.370 ( -1.614 -5.489 0.000) 5.721 5.383 ( 1.497 7.239 0.000) 7.392 5.450 ( -1.284 7.239 0.000) 7.352 5.592 ( 5.908 -0.484 0.000) 5.927 5.670 ( 6.686 2.363 0.000) 7.092 5.697 ( -0.970 -6.190 0.000) 6.266 5.868 ( 7.859 -6.817 0.000) 10.403 5.873 ( -1.508 -1.383 0.000) 2.046 5.994 ( 1.371 -5.628 0.000) 5.792 6.204 ( 4.445 -1.152 0.000) 4.592 6.290 ( 2.283 -2.428 0.000) 3.332 6.331 ( 2.441 3.098 0.000) 3.944 6.407 ( -2.428 -0.160 0.000) 2.433 6.906 ( 3.818 0.760 0.000) 3.893 7.026 ( -0.289 -0.058 0.000) 0.295 7.093 ( -3.729 -8.308 0.000) 9.106 7.096 ( -4.249 -4.521 0.000) 6.205 7.381 ( 2.230 9.193 0.000) 9.459 7.407 ( 0.538 7.250 0.000) 7.270 7.760 ( 5.185 -9.991 0.000) 11.256 7.774 ( 5.671 -10.576 0.000) 12.001 7.946 ( -3.150 9.245 0.000) 9.766 7.988 ( -4.349 9.045 0.000) 10.036 8.268 ( -2.920 -7.015 0.000) 7.598 8.296 ( -4.106 -6.663 0.000) 7.827 8.754 ( 8.405 5.551 0.000) 10.072 8.859 ( 3.645 6.615 0.000) 7.553 8.869 ( 5.700 -0.903 0.000) 5.772 8.914 ( 3.371 2.957 0.000) 4.484 8.971 ( -0.161 3.380 0.000) 3.384 9.036 ( 1.694 -2.595 0.000) 3.099 9.091 ( -6.177 2.386 0.000) 6.622 9.331 ( -4.419 -7.629 0.000) 8.816 9.501 ( -5.460 4.897 0.000) 7.334 9.530 ( -2.991 7.521 0.000) 8.094 9.813 ( 0.683 -5.529 0.000) 5.571 9.820 ( 0.313 -2.486 0.000) 2.505 10.137 ( 1.869 -1.917 0.000) 2.677 10.149 ( 1.134 -1.195 0.000) 1.648 10.218 ( 1.024 -7.644 0.000) 7.712 10.267 ( -2.165 -7.237 0.000) 7.554 10.482 ( -0.824 -1.516 0.000) 1.726 10.551 ( -3.962 -2.351 0.000) 4.607 10.617 ( -1.714 -6.789 0.000) 7.002 10.671 ( -3.773 -7.618 0.000) 8.501 12.469 ( 1.829 -0.255 0.000) 1.847 12.490 ( 1.504 -1.207 0.000) 1.929 12.514 ( -0.357 -0.300 0.000) 0.466 12.527 ( -0.185 -0.701 0.000) 0.725 ======================= Grid point 58 (35/80) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( -0.868 8.806 0.000) 8.848 2.882 ( 0.868 8.806 0.000) 8.848 2.942 ( -3.547 7.656 0.000) 8.438 2.942 ( 3.547 7.656 0.000) 8.438 3.064 ( -6.593 -1.216 0.000) 6.705 3.064 ( 6.593 -1.216 0.000) 6.705 3.212 ( -6.898 -0.798 0.000) 6.944 3.212 ( 6.898 -0.798 0.000) 6.944 3.638 ( -5.915 7.645 0.000) 9.666 3.638 ( 5.915 7.645 0.000) 9.666 3.823 ( -9.753 4.487 0.000) 10.735 3.823 ( 9.753 4.487 0.000) 10.736 4.195 ( -5.817 9.495 0.000) 11.135 4.195 ( 5.817 9.495 0.000) 11.136 4.223 ( -3.369 5.293 0.000) 6.274 4.223 ( 3.369 5.293 0.000) 6.274 4.509 ( -3.161 -8.023 0.000) 8.624 4.509 ( 3.161 -8.023 0.000) 8.624 4.579 ( -6.727 -3.995 0.000) 7.824 4.579 ( 6.727 -3.995 0.000) 7.824 5.192 ( -2.387 3.110 0.000) 3.920 5.192 ( 2.387 3.110 0.000) 3.920 5.341 ( -1.271 -4.073 0.000) 4.266 5.341 ( 1.271 -4.073 0.000) 4.266 5.417 ( -1.830 8.407 0.000) 8.604 5.417 ( 1.831 8.407 0.000) 8.604 5.665 ( -2.311 -5.477 0.000) 5.944 5.665 ( 2.311 -5.476 0.000) 5.944 5.806 ( -5.215 0.679 0.000) 5.259 5.806 ( 5.215 0.679 0.000) 5.259 5.980 ( -2.944 -6.773 0.000) 7.385 5.980 ( 2.944 -6.773 0.000) 7.385 6.312 ( -5.575 0.847 0.000) 5.639 6.312 ( 5.575 0.847 0.000) 5.639 6.336 ( -1.921 1.043 0.000) 2.186 6.336 ( 1.921 1.043 0.000) 2.186 6.983 ( -3.586 -1.938 0.000) 4.076 6.983 ( 3.586 -1.938 0.000) 4.076 7.053 ( -0.172 -5.555 0.000) 5.558 7.053 ( 0.172 -5.555 0.000) 5.558 7.417 ( -0.453 9.610 0.000) 9.621 7.417 ( 0.453 9.610 0.000) 9.621 7.838 ( -0.764 -11.172 0.000) 11.198 7.838 ( 0.764 -11.172 0.000) 11.198 7.924 ( -1.228 8.931 0.000) 9.015 7.924 ( 1.228 8.931 0.000) 9.015 8.231 ( -0.884 -6.972 0.000) 7.028 8.231 ( 0.884 -6.972 0.000) 7.028 8.876 ( -2.307 5.690 0.000) 6.140 8.876 ( 2.307 5.690 0.000) 6.140 8.946 ( -3.462 0.866 0.000) 3.569 8.946 ( 3.462 0.866 0.000) 3.569 8.983 ( -2.930 4.840 0.000) 5.658 8.983 ( 2.930 4.840 0.000) 5.658 9.157 ( -9.630 -3.658 0.000) 10.301 9.157 ( 9.630 -3.658 0.000) 10.301 9.484 ( -1.516 5.781 0.000) 5.976 9.484 ( 1.516 5.781 0.000) 5.976 9.823 ( -0.153 -4.870 0.000) 4.872 9.823 ( 0.153 -4.870 0.000) 4.872 10.162 ( -0.260 -1.822 0.000) 1.841 10.162 ( 0.260 -1.822 0.000) 1.841 10.239 ( -1.024 -7.506 0.000) 7.576 10.239 ( 1.024 -7.506 0.000) 7.576 10.490 ( -1.740 -2.661 0.000) 3.180 10.490 ( 1.740 -2.661 0.000) 3.180 10.611 ( -1.480 -7.223 0.000) 7.373 10.611 ( 1.480 -7.223 0.000) 7.373 12.500 ( -1.134 -0.264 0.000) 1.164 12.500 ( 1.134 -0.264 0.000) 1.164 12.515 ( -0.954 -0.781 0.000) 1.233 12.515 ( 0.954 -0.781 0.000) 1.233 ======================= Grid point 63 (36/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 0.000 -3.134 0.000) 3.134 2.863 ( 0.000 3.134 0.000) 3.134 3.187 ( 0.000 -19.441 0.000) 19.441 3.187 ( 0.000 19.441 0.000) 19.441 3.361 ( 0.000 -5.178 0.000) 5.178 3.361 ( 0.000 5.178 0.000) 5.178 3.510 ( 0.000 -14.570 0.000) 14.570 3.510 ( 0.000 14.570 0.000) 14.570 3.685 ( 0.000 -2.616 0.000) 2.616 3.685 ( 0.000 2.616 0.000) 2.616 3.867 ( 0.000 -4.370 0.000) 4.370 3.867 ( 0.000 4.370 0.000) 4.370 4.062 ( 0.000 -0.812 0.000) 0.812 4.062 ( 0.000 0.812 0.000) 0.812 4.339 ( 0.000 -2.737 0.000) 2.737 4.339 ( 0.000 2.737 0.000) 2.737 4.882 ( 0.000 -2.612 0.000) 2.612 4.882 ( 0.000 2.612 0.000) 2.612 4.999 ( 0.000 -1.202 0.000) 1.202 4.999 ( 0.000 1.202 0.000) 1.202 5.199 ( 0.000 -0.894 0.000) 0.894 5.199 ( 0.000 0.894 0.000) 0.894 5.396 ( 0.000 -6.468 0.000) 6.468 5.396 ( 0.000 6.468 0.000) 6.468 5.410 ( 0.000 -6.640 0.000) 6.640 5.410 ( 0.000 6.640 0.000) 6.640 5.468 ( 0.000 -4.198 0.000) 4.198 5.468 ( 0.000 4.198 0.000) 4.198 5.598 ( 0.000 -10.127 0.000) 10.127 5.598 ( 0.000 10.127 0.000) 10.127 5.625 ( 0.000 -6.581 0.000) 6.581 5.625 ( 0.000 6.581 0.000) 6.581 6.099 ( 0.000 -4.916 0.000) 4.916 6.099 ( 0.000 4.916 0.000) 4.916 6.113 ( 0.000 -0.966 0.000) 0.966 6.113 ( 0.000 0.966 0.000) 0.966 6.981 ( 0.000 -14.707 0.000) 14.707 6.981 ( 0.000 14.707 0.000) 14.707 7.113 ( 0.000 -9.370 0.000) 9.370 7.113 ( 0.000 9.370 0.000) 9.370 7.641 ( 0.000 -3.908 0.000) 3.908 7.641 ( 0.000 3.908 0.000) 3.908 7.687 ( 0.000 -2.926 0.000) 2.926 7.687 ( 0.000 2.926 0.000) 2.926 8.102 ( 0.000 -0.997 0.000) 0.997 8.102 ( 0.000 0.997 0.000) 0.997 8.212 ( 0.000 -0.981 0.000) 0.981 8.212 ( 0.000 0.981 0.000) 0.981 8.456 ( 0.000 -0.685 0.000) 0.685 8.456 ( 0.000 0.685 0.000) 0.685 8.669 ( 0.000 -6.277 0.000) 6.277 8.669 ( 0.000 6.277 0.000) 6.277 8.990 ( 0.000 -7.511 0.000) 7.511 8.990 ( 0.000 7.511 0.000) 7.511 9.355 ( 0.000 -12.250 0.000) 12.250 9.355 ( 0.000 12.250 0.000) 12.250 9.791 ( 0.000 -0.900 0.000) 0.900 9.791 ( 0.000 0.900 0.000) 0.900 9.809 ( 0.000 -1.392 0.000) 1.392 9.809 ( 0.000 1.392 0.000) 1.392 10.085 ( 0.000 -2.779 0.000) 2.779 10.085 ( 0.000 2.779 0.000) 2.779 10.280 ( 0.000 -8.338 0.000) 8.338 10.280 ( 0.000 8.338 0.000) 8.338 10.629 ( 0.000 -0.249 0.000) 0.249 10.629 ( 0.000 0.249 0.000) 0.249 10.710 ( 0.000 -1.274 0.000) 1.274 10.710 ( 0.000 1.274 0.000) 1.274 12.384 ( 0.000 -0.631 0.000) 0.631 12.384 ( 0.000 0.631 0.000) 0.631 12.496 ( 0.000 -0.492 0.000) 0.492 12.496 ( 0.000 0.492 0.000) 0.492 ======================= Grid point 65 (37/80) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 1.577 -2.849 0.000) 3.256 2.880 ( 1.577 2.849 0.000) 3.256 3.156 ( -2.835 -14.393 0.000) 14.670 3.156 ( -2.835 14.393 0.000) 14.670 3.338 ( -2.333 -4.078 0.000) 4.698 3.338 ( -2.333 4.078 0.000) 4.698 3.442 ( -6.119 -14.652 0.000) 15.878 3.442 ( -6.119 14.652 0.000) 15.878 3.650 ( -2.640 -1.161 0.000) 2.884 3.650 ( -2.640 1.161 0.000) 2.884 3.886 ( 2.764 -4.584 0.000) 5.353 3.886 ( 2.764 4.584 0.000) 5.353 4.098 ( 2.605 -9.362 0.000) 9.718 4.098 ( 2.605 9.362 0.000) 9.718 4.361 ( 1.325 -1.759 0.000) 2.203 4.361 ( 1.325 1.759 0.000) 2.203 4.833 ( -13.841 -1.076 0.000) 13.883 4.833 ( -13.841 1.076 0.000) 13.883 4.864 ( -1.963 -2.311 0.000) 3.032 4.864 ( -1.963 2.311 0.000) 3.032 5.213 ( 1.434 -0.921 0.000) 1.704 5.213 ( 1.434 0.921 0.000) 1.704 5.350 ( -3.085 -6.690 0.000) 7.367 5.350 ( -3.085 6.690 0.000) 7.367 5.433 ( 3.087 -3.544 0.000) 4.700 5.433 ( 3.087 3.544 0.000) 4.700 5.492 ( 2.733 -2.475 0.000) 3.687 5.492 ( 2.733 2.475 0.000) 3.687 5.600 ( -0.965 -7.898 0.000) 7.957 5.600 ( -0.965 7.898 0.000) 7.957 5.741 ( 8.006 -4.243 0.000) 9.061 5.741 ( 8.006 4.243 0.000) 9.061 6.111 ( 1.228 -4.518 0.000) 4.682 6.111 ( 1.228 4.518 0.000) 4.682 6.181 ( 6.140 -2.829 0.000) 6.761 6.181 ( 6.140 2.829 0.000) 6.761 6.991 ( 0.623 -13.605 0.000) 13.619 6.991 ( 0.623 13.605 0.000) 13.619 7.114 ( -0.135 -8.211 0.000) 8.212 7.114 ( -0.135 8.211 0.000) 8.212 7.569 ( -5.047 -4.188 0.000) 6.558 7.569 ( -5.047 4.188 0.000) 6.558 7.612 ( -5.436 -3.374 0.000) 6.398 7.612 ( -5.436 3.374 0.000) 6.398 8.157 ( 3.258 -2.978 0.000) 4.414 8.157 ( 3.258 2.978 0.000) 4.414 8.243 ( 1.387 -4.537 0.000) 4.744 8.243 ( 1.387 4.537 0.000) 4.744 8.503 ( 4.889 -2.281 0.000) 5.395 8.503 ( 4.889 2.281 0.000) 5.395 8.733 ( 6.026 -6.680 0.000) 8.997 8.733 ( 6.026 6.680 0.000) 8.997 8.978 ( -0.988 -6.674 0.000) 6.747 8.978 ( -0.988 6.674 0.000) 6.747 9.330 ( -2.474 -10.954 0.000) 11.230 9.330 ( -2.474 10.955 0.000) 11.230 9.778 ( -1.288 -2.965 0.000) 3.233 9.778 ( -1.288 2.965 0.000) 3.233 9.782 ( -2.515 -2.483 0.000) 3.535 9.782 ( -2.515 2.483 0.000) 3.535 10.089 ( 0.394 -2.806 0.000) 2.833 10.089 ( 0.394 2.806 0.000) 2.833 10.250 ( -2.554 -7.513 0.000) 7.936 10.250 ( -2.554 7.513 0.000) 7.936 10.609 ( -1.884 -2.523 0.000) 3.149 10.609 ( -1.884 2.523 0.000) 3.149 10.696 ( -1.587 -2.117 0.000) 2.646 10.696 ( -1.587 2.117 0.000) 2.646 12.398 ( 1.300 -0.663 0.000) 1.459 12.398 ( 1.300 0.663 0.000) 1.459 12.502 ( 0.511 -0.375 0.000) 0.634 12.502 ( 0.511 0.375 0.000) 0.634 ======================= Grid point 67 (38/80) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 2.589 -3.149 0.000) 4.077 2.923 ( 2.589 3.149 0.000) 4.077 3.083 ( -3.955 -6.676 0.000) 7.759 3.083 ( -3.955 6.676 0.000) 7.759 3.272 ( -3.865 -9.193 0.000) 9.973 3.272 ( -3.865 9.193 0.000) 9.973 3.290 ( -8.179 -13.295 0.000) 15.610 3.290 ( -8.179 13.295 0.000) 15.610 3.615 ( -0.036 -1.414 0.000) 1.415 3.615 ( -0.036 1.414 0.000) 1.415 3.990 ( 6.741 -3.856 0.000) 7.766 3.990 ( 6.741 3.856 0.000) 7.766 4.128 ( -0.346 -10.870 0.000) 10.875 4.128 ( -0.346 10.870 0.000) 10.875 4.367 ( -0.721 -1.557 0.000) 1.716 4.367 ( -0.721 1.557 0.000) 1.716 4.540 ( -12.932 -0.653 0.000) 12.948 4.540 ( -12.932 0.653 0.000) 12.948 4.790 ( -5.490 -3.718 0.000) 6.630 4.790 ( -5.490 3.718 0.000) 6.630 5.248 ( 1.615 -1.059 0.000) 1.932 5.248 ( 1.615 1.059 0.000) 1.932 5.296 ( -2.269 -6.062 0.000) 6.473 5.296 ( -2.269 6.062 0.000) 6.473 5.486 ( 1.975 -4.703 0.000) 5.100 5.486 ( 1.975 4.703 0.000) 5.100 5.584 ( -0.498 -6.613 0.000) 6.631 5.584 ( -0.498 6.613 0.000) 6.631 5.598 ( 7.229 -3.736 0.000) 8.137 5.598 ( 7.229 3.736 0.000) 8.137 5.862 ( 3.726 -1.678 0.000) 4.086 5.862 ( 3.726 1.678 0.000) 4.086 6.153 ( 3.094 -3.889 0.000) 4.970 6.153 ( 3.094 3.889 0.000) 4.970 6.320 ( 6.201 -4.056 0.000) 7.409 6.320 ( 6.201 4.056 0.000) 7.409 6.988 ( -1.146 -9.767 0.000) 9.834 6.988 ( -1.146 9.767 0.000) 9.834 7.095 ( -1.986 -4.818 0.000) 5.211 7.095 ( -1.986 4.818 0.000) 5.211 7.512 ( 0.358 -7.277 0.000) 7.285 7.512 ( 0.358 7.277 0.000) 7.285 7.538 ( -0.910 -6.251 0.000) 6.317 7.538 ( -0.910 6.251 0.000) 6.317 8.176 ( -1.484 -6.870 0.000) 7.029 8.176 ( -1.484 6.870 0.000) 7.029 8.230 ( -2.605 -7.217 0.000) 7.673 8.230 ( -2.605 7.217 0.000) 7.673 8.651 ( 9.054 -3.208 0.000) 9.605 8.651 ( 9.054 3.208 0.000) 9.605 8.878 ( 6.920 -6.560 0.000) 9.535 8.878 ( 6.920 6.560 0.000) 9.535 8.961 ( -0.395 -4.754 0.000) 4.771 8.961 ( -0.395 4.754 0.000) 4.771 9.262 ( -3.920 -7.885 0.000) 8.806 9.262 ( -3.920 7.885 0.000) 8.806 9.716 ( -3.701 -5.333 0.000) 6.491 9.716 ( -3.701 5.333 0.000) 6.491 9.743 ( -2.019 -6.036 0.000) 6.364 9.743 ( -2.019 6.036 0.000) 6.364 10.103 ( 1.059 -2.318 0.000) 2.548 10.103 ( 1.059 2.318 0.000) 2.548 10.198 ( -2.146 -5.506 0.000) 5.910 10.198 ( -2.146 5.506 0.000) 5.910 10.559 ( -2.796 -3.857 0.000) 4.764 10.559 ( -2.796 3.857 0.000) 4.764 10.642 ( -3.616 -2.948 0.000) 4.666 10.642 ( -3.616 2.948 0.000) 4.666 12.432 ( 1.963 -0.674 0.000) 2.075 12.432 ( 1.963 0.674 0.000) 2.075 12.513 ( 0.435 -0.279 0.000) 0.517 12.513 ( 0.435 0.279 0.000) 0.517 ======================= Grid point 69 (39/80) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 2.997 -5.177 0.000) 5.982 2.982 ( 2.997 5.177 0.000) 5.982 3.017 ( -2.095 -1.756 0.000) 2.734 3.017 ( -2.095 1.756 0.000) 2.734 3.139 ( -5.811 -9.610 0.000) 11.231 3.139 ( -5.811 9.610 0.000) 11.231 3.188 ( -4.300 -10.680 0.000) 11.513 3.188 ( -4.300 10.680 0.000) 11.513 3.662 ( 4.650 -3.511 0.000) 5.826 3.662 ( 4.650 3.511 0.000) 5.826 3.986 ( -8.406 -10.860 0.000) 13.733 3.986 ( -8.406 10.860 0.000) 13.733 4.206 ( 9.300 -1.197 0.000) 9.377 4.206 ( 9.300 1.197 0.000) 9.377 4.343 ( -1.281 -3.053 0.000) 3.311 4.343 ( -1.281 3.053 0.000) 3.311 4.374 ( -3.244 -1.931 0.000) 3.775 4.374 ( -3.244 1.931 0.000) 3.775 4.641 ( -8.951 -5.871 0.000) 10.705 4.641 ( -8.951 5.871 0.000) 10.705 5.262 ( -0.982 -5.273 0.000) 5.364 5.262 ( -0.982 5.273 0.000) 5.364 5.265 ( 0.006 -1.741 0.000) 1.741 5.265 ( 0.006 1.741 0.000) 1.741 5.523 ( 1.708 -5.515 0.000) 5.773 5.523 ( 1.708 5.515 0.000) 5.773 5.575 ( -0.626 -5.892 0.000) 5.925 5.575 ( -0.626 5.892 0.000) 5.925 5.748 ( 6.842 -4.960 0.000) 8.451 5.748 ( 6.842 4.960 0.000) 8.451 5.897 ( -0.147 -3.758 0.000) 3.761 5.897 ( -0.147 3.758 0.000) 3.761 6.239 ( 5.175 -3.081 0.000) 6.023 6.239 ( 5.175 3.081 0.000) 6.023 6.392 ( 0.446 -2.148 0.000) 2.194 6.392 ( 0.446 2.148 0.000) 2.194 6.963 ( -0.529 -4.918 0.000) 4.946 6.963 ( -0.529 4.918 0.000) 4.946 7.038 ( -3.212 -1.589 0.000) 3.584 7.038 ( -3.212 1.589 0.000) 3.584 7.571 ( 3.250 -9.229 0.000) 9.784 7.571 ( 3.250 9.229 0.000) 9.784 7.571 ( 4.147 -10.135 0.000) 10.950 7.571 ( 4.147 10.135 0.000) 10.950 8.118 ( -3.327 -8.290 0.000) 8.932 8.118 ( -3.327 8.290 0.000) 8.932 8.153 ( -4.371 -7.925 0.000) 9.050 8.153 ( -4.371 7.925 0.000) 9.050 8.835 ( 8.004 -2.772 0.000) 8.470 8.835 ( 8.004 2.772 0.000) 8.470 8.966 ( 1.183 -3.788 0.000) 3.968 8.966 ( 1.183 3.788 0.000) 3.968 8.977 ( 2.527 -3.321 0.000) 4.173 8.977 ( 2.527 3.321 0.000) 4.173 9.181 ( -4.118 -6.933 0.000) 8.064 9.181 ( -4.118 6.933 0.000) 8.064 9.653 ( -1.779 -9.483 0.000) 9.648 9.653 ( -1.779 9.483 0.000) 9.648 9.698 ( -2.344 -8.822 0.000) 9.128 9.698 ( -2.344 8.822 0.000) 9.128 10.131 ( 1.602 -1.624 0.000) 2.281 10.131 ( 1.602 1.624 0.000) 2.281 10.171 ( -0.650 -3.084 0.000) 3.152 10.171 ( -0.650 3.084 0.000) 3.152 10.508 ( -1.864 -3.935 0.000) 4.355 10.508 ( -1.864 3.935 0.000) 4.355 10.560 ( -4.033 -3.310 0.000) 5.218 10.560 ( -4.033 3.310 0.000) 5.218 12.472 ( 1.808 -0.579 0.000) 1.899 12.472 ( 1.808 0.579 0.000) 1.899 12.516 ( -0.226 -0.397 0.000) 0.457 12.516 ( -0.226 0.397 0.000) 0.457 ======================= Grid point 71 (40/80) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -0.727 -3.910 0.000) 3.977 3.007 ( 0.727 -3.910 0.000) 3.977 3.007 ( -0.727 3.910 0.000) 3.977 3.007 ( 0.727 3.910 0.000) 3.977 3.107 ( -2.923 -7.762 0.000) 8.294 3.107 ( 2.923 -7.762 0.000) 8.294 3.107 ( -2.923 7.762 0.000) 8.294 3.107 ( 2.923 7.762 0.000) 8.294 3.799 ( -8.547 -6.302 0.000) 10.619 3.799 ( 8.547 -6.302 0.000) 10.619 3.799 ( -8.547 6.302 0.000) 10.619 3.799 ( 8.547 6.302 0.000) 10.619 4.324 ( -0.836 -6.820 0.000) 6.871 4.324 ( 0.836 -6.820 0.000) 6.871 4.324 ( -0.836 6.820 0.000) 6.871 4.324 ( 0.836 6.820 0.000) 6.871 4.442 ( -9.895 -8.592 0.000) 13.105 4.442 ( 9.895 -8.592 0.000) 13.105 4.442 ( -9.895 8.592 0.000) 13.105 4.442 ( 9.895 8.592 0.000) 13.105 5.257 ( -0.402 -3.769 0.000) 3.790 5.257 ( 0.402 -3.769 0.000) 3.790 5.257 ( -0.402 3.769 0.000) 3.790 5.257 ( 0.402 3.769 0.000) 3.790 5.555 ( -1.360 -5.634 0.000) 5.795 5.555 ( 1.360 -5.634 0.000) 5.795 5.555 ( -1.360 5.634 0.000) 5.795 5.555 ( 1.360 5.634 0.000) 5.795 5.858 ( -3.728 -4.990 0.000) 6.229 5.858 ( 3.728 -4.990 0.000) 6.229 5.858 ( -3.728 4.990 0.000) 6.229 5.858 ( 3.728 4.990 0.000) 6.229 6.344 ( -4.518 -0.966 0.000) 4.621 6.344 ( -4.518 0.966 0.000) 4.621 6.344 ( 4.518 -0.966 0.000) 4.621 6.344 ( 4.518 0.966 0.000) 4.621 6.980 ( -2.115 -1.749 0.000) 2.745 6.980 ( 2.115 -1.749 0.000) 2.745 6.980 ( -2.115 1.749 0.000) 2.745 6.980 ( 2.115 1.749 0.000) 2.745 7.620 ( -0.334 -10.941 0.000) 10.946 7.620 ( 0.334 -10.941 0.000) 10.946 7.620 ( -0.334 10.941 0.000) 10.946 7.620 ( 0.334 10.941 0.000) 10.946 8.087 ( -1.143 -7.803 0.000) 7.886 8.087 ( 1.144 -7.803 0.000) 7.886 8.087 ( -1.143 7.803 0.000) 7.886 8.087 ( 1.144 7.803 0.000) 7.886 8.942 ( -2.921 -1.549 0.000) 3.307 8.942 ( 2.921 -1.549 0.000) 3.307 8.942 ( -2.921 1.549 0.000) 3.307 8.942 ( 2.921 1.549 0.000) 3.307 9.076 ( -6.145 -4.502 0.000) 7.618 9.076 ( 6.145 -4.502 0.000) 7.618 9.076 ( -6.145 4.502 0.000) 7.618 9.076 ( 6.145 4.502 0.000) 7.618 9.655 ( -1.589 -10.571 0.000) 10.690 9.655 ( 1.589 -10.571 0.000) 10.690 9.655 ( -1.589 10.571 0.000) 10.690 9.655 ( 1.589 10.571 0.000) 10.690 10.159 ( -0.891 -1.593 0.000) 1.825 10.159 ( 0.891 -1.593 0.000) 1.825 10.159 ( -0.891 1.593 0.000) 1.825 10.159 ( 0.891 1.593 0.000) 1.825 10.500 ( -1.385 -3.569 0.000) 3.829 10.500 ( 1.385 -3.569 0.000) 3.829 10.500 ( -1.385 3.569 0.000) 3.829 10.500 ( 1.385 3.569 0.000) 3.829 12.502 ( -1.103 -0.471 0.000) 1.200 12.502 ( -1.103 0.471 0.000) 1.200 12.502 ( 1.103 -0.471 0.000) 1.200 12.502 ( 1.103 0.471 0.000) 1.200 ======================= Grid point 135 (41/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 0.000 0.000 21.328) 21.328 0.561 ( 0.000 0.000 25.409) 25.409 0.884 ( 0.000 0.000 39.420) 39.420 0.891 ( 0.000 0.000 -16.728) 16.728 1.062 ( 0.000 0.000 -19.590) 19.590 1.655 ( 0.000 0.000 -30.174) 30.174 2.116 ( 0.000 0.000 12.430) 12.430 2.391 ( 0.000 0.000 -11.919) 11.919 2.728 ( 0.000 0.000 13.896) 13.896 2.767 ( 0.000 0.000 0.828) 0.828 2.777 ( 0.000 0.000 -0.251) 0.251 2.995 ( 0.000 0.000 -8.994) 8.994 3.036 ( 0.000 0.000 5.627) 5.627 3.143 ( 0.000 0.000 -3.706) 3.706 3.472 ( 0.000 0.000 3.830) 3.830 3.535 ( 0.000 0.000 0.497) 0.497 4.140 ( 0.000 0.000 6.770) 6.770 4.380 ( 0.000 0.000 -11.510) 11.510 4.679 ( 0.000 0.000 1.879) 1.879 4.686 ( 0.000 0.000 2.853) 2.853 5.188 ( 0.000 0.000 3.868) 3.868 5.360 ( 0.000 0.000 -9.317) 9.317 5.538 ( 0.000 0.000 6.824) 6.824 5.679 ( 0.000 0.000 -6.060) 6.060 5.811 ( 0.000 0.000 2.557) 2.557 5.852 ( 0.000 0.000 -1.040) 1.040 6.186 ( 0.000 0.000 0.793) 0.793 6.197 ( 0.000 0.000 -0.229) 0.229 6.233 ( 0.000 0.000 1.075) 1.075 6.275 ( 0.000 0.000 -2.684) 2.684 6.293 ( 0.000 0.000 8.986) 8.986 6.434 ( 0.000 0.000 2.430) 2.430 6.476 ( 0.000 0.000 -1.363) 1.363 6.483 ( 0.000 0.000 -7.833) 7.833 6.917 ( 0.000 0.000 4.253) 4.253 6.994 ( 0.000 0.000 -2.335) 2.335 7.016 ( 0.000 0.000 0.840) 0.840 7.046 ( 0.000 0.000 -1.751) 1.751 7.077 ( 0.000 0.000 3.660) 3.660 7.187 ( 0.000 0.000 -6.447) 6.447 7.239 ( 0.000 0.000 0.282) 0.282 7.246 ( 0.000 0.000 -0.335) 0.335 7.585 ( 0.000 0.000 5.405) 5.405 7.672 ( 0.000 0.000 -2.665) 2.665 7.956 ( 0.000 0.000 1.049) 1.049 7.981 ( 0.000 0.000 -1.031) 1.031 8.321 ( 0.000 0.000 7.873) 7.873 8.525 ( 0.000 0.000 -9.853) 9.853 8.878 ( 0.000 0.000 7.284) 7.284 8.993 ( 0.000 0.000 0.786) 0.786 9.012 ( 0.000 0.000 -0.874) 0.874 9.034 ( 0.000 0.000 -5.605) 5.605 9.147 ( 0.000 0.000 0.482) 0.482 9.157 ( 0.000 0.000 -0.380) 0.380 9.202 ( 0.000 0.000 3.356) 3.356 9.299 ( 0.000 0.000 -6.113) 6.113 9.445 ( 0.000 0.000 0.642) 0.642 9.468 ( 0.000 0.000 -1.446) 1.446 9.759 ( 0.000 0.000 5.499) 5.499 9.873 ( 0.000 0.000 -4.322) 4.322 10.063 ( 0.000 0.000 0.056) 0.056 10.064 ( 0.000 0.000 -0.056) 0.056 10.137 ( 0.000 0.000 8.638) 8.638 10.298 ( 0.000 0.000 -5.411) 5.411 10.747 ( 0.000 0.000 0.940) 0.940 10.773 ( 0.000 0.000 -1.252) 1.252 12.272 ( 0.000 0.000 4.094) 4.094 12.392 ( 0.000 0.000 -6.650) 6.650 12.645 ( 0.000 0.000 0.865) 0.865 12.652 ( 0.000 0.000 -0.126) 0.126 12.768 ( 0.000 0.000 5.191) 5.191 12.866 ( 0.000 0.000 -3.406) 3.406 ======================= Grid point 136 (42/80) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 15.477 0.000 15.985) 22.251 0.714 ( 19.455 0.000 13.500) 23.680 1.028 ( 12.355 0.000 -13.976) 18.654 1.114 ( 5.750 0.000 -20.920) 21.696 1.327 ( 32.486 0.000 24.089) 40.443 1.770 ( 10.335 0.000 -11.609) 15.543 2.122 ( 0.474 0.000 12.004) 12.013 2.391 ( -0.219 0.000 -11.993) 11.995 2.747 ( -1.894 0.000 1.749) 2.578 2.766 ( -0.939 0.000 -0.315) 0.990 2.788 ( 5.943 0.000 4.578) 7.502 2.984 ( -1.157 0.000 -9.773) 9.841 3.016 ( -1.992 0.000 4.970) 5.354 3.114 ( -2.794 0.000 -3.526) 4.499 3.338 ( -9.482 0.000 6.012) 11.228 3.487 ( -5.677 0.000 -6.205) 8.410 4.124 ( -5.097 0.000 10.642) 11.800 4.251 ( -3.843 0.000 -0.489) 3.874 4.601 ( -3.549 0.000 9.490) 10.132 4.778 ( 0.725 0.000 -8.965) 8.994 4.977 ( -10.182 0.000 2.058) 10.388 5.109 ( -11.530 0.000 -8.812) 14.512 5.638 ( -2.946 0.000 0.464) 2.982 5.655 ( -7.926 0.000 -0.649) 7.952 5.845 ( 3.587 0.000 2.459) 4.349 5.875 ( 2.641 0.000 0.453) 2.679 6.138 ( -10.220 0.000 9.927) 14.247 6.164 ( -1.821 0.000 0.501) 1.889 6.176 ( -1.798 0.000 -0.478) 1.860 6.240 ( 0.729 0.000 1.801) 1.942 6.294 ( 1.326 0.000 -3.055) 3.330 6.328 ( -11.720 0.000 -7.048) 13.676 6.439 ( 0.623 0.000 2.689) 2.760 6.484 ( 0.809 0.000 -1.439) 1.651 6.866 ( 2.320 0.000 2.165) 3.173 6.943 ( 4.499 0.000 -4.692) 6.500 7.051 ( 2.099 0.000 3.000) 3.661 7.104 ( 1.393 0.000 -1.302) 1.907 7.180 ( -5.302 0.000 0.372) 5.316 7.189 ( -5.171 0.000 -0.409) 5.187 7.288 ( 12.202 0.000 9.154) 15.254 7.516 ( 5.568 0.000 -6.093) 8.254 7.718 ( 6.256 0.000 0.426) 6.271 7.877 ( 18.897 0.000 -20.551) 27.919 8.004 ( 4.234 0.000 0.890) 4.326 8.025 ( 3.928 0.000 -0.882) 4.026 8.434 ( 10.048 0.000 5.557) 11.482 8.612 ( 7.149 0.000 -8.710) 11.268 8.862 ( -1.429 0.000 5.857) 6.028 8.985 ( -4.135 0.000 -3.355) 5.325 8.988 ( -0.433 0.000 0.731) 0.850 9.006 ( -0.575 0.000 -0.802) 0.987 9.099 ( -4.334 0.000 1.794) 4.691 9.148 ( 0.070 0.000 0.440) 0.445 9.157 ( -0.003 0.000 -0.356) 0.356 9.167 ( -7.253 0.000 -4.230) 8.397 9.625 ( 3.239 0.000 4.882) 5.858 9.646 ( 12.064 0.000 1.081) 12.112 9.711 ( 5.654 0.000 5.278) 7.734 9.893 ( 0.362 0.000 -7.177) 7.186 10.069 ( 0.558 0.000 0.050) 0.560 10.070 ( 0.546 0.000 -0.050) 0.548 10.142 ( 0.546 0.000 8.308) 8.326 10.321 ( 2.345 0.000 -6.598) 7.003 10.742 ( -0.607 0.000 1.890) 1.985 10.787 ( 1.576 0.000 -2.239) 2.738 12.143 ( -15.242 0.000 6.915) 16.737 12.277 ( -12.866 0.000 -5.387) 13.948 12.584 ( -0.483 0.000 0.709) 0.858 12.600 ( -1.325 0.000 -0.596) 1.452 12.807 ( 2.872 0.000 2.750) 3.977 12.846 ( 0.788 0.000 0.270) 0.833 ======================= Grid point 137 (43/80) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 22.245 0.000 4.160) 22.630 1.148 ( 22.011 0.000 7.094) 23.126 1.290 ( 11.734 0.000 -14.183) 18.407 1.336 ( 16.695 0.000 -9.297) 19.109 2.001 ( 14.894 0.000 10.205) 18.055 2.008 ( 26.145 0.000 8.644) 27.537 2.126 ( -0.453 0.000 10.360) 10.370 2.362 ( -3.489 0.000 -10.812) 11.361 2.707 ( -1.387 0.000 3.276) 3.558 2.745 ( -0.827 0.000 -0.791) 1.144 2.883 ( -4.938 0.000 -2.276) 5.437 2.958 ( -3.583 0.000 3.347) 4.903 2.966 ( 5.085 0.000 -10.471) 11.640 3.033 ( -5.092 0.000 -2.906) 5.863 3.241 ( 4.359 0.000 3.509) 5.596 3.391 ( -0.590 0.000 -8.779) 8.799 3.922 ( -13.511 0.000 12.889) 18.673 4.140 ( -11.932 0.000 -5.744) 13.243 4.538 ( -2.568 0.000 5.107) 5.716 4.626 ( -10.354 0.000 1.010) 10.404 4.835 ( -4.267 0.000 4.237) 6.013 5.064 ( -0.599 0.000 -13.304) 13.317 5.445 ( -7.942 0.000 3.478) 8.670 5.513 ( -6.027 0.000 -3.249) 6.847 5.860 ( -3.740 0.000 3.835) 5.357 5.895 ( -2.574 0.000 1.221) 2.848 5.950 ( -5.517 0.000 4.987) 7.437 6.074 ( -12.740 0.000 -4.910) 13.653 6.123 ( -2.065 0.000 0.422) 2.108 6.134 ( -2.158 0.000 -0.532) 2.223 6.259 ( 1.008 0.000 2.000) 2.240 6.314 ( 0.486 0.000 -2.976) 3.015 6.465 ( 2.082 0.000 2.505) 3.257 6.509 ( 1.594 0.000 -1.407) 2.126 6.943 ( 4.470 0.000 4.574) 6.395 7.051 ( -6.789 0.000 0.427) 6.802 7.051 ( 5.089 0.000 -3.889) 6.405 7.061 ( -6.848 0.000 -0.445) 6.862 7.129 ( 4.154 0.000 -0.191) 4.158 7.154 ( 3.848 0.000 -2.811) 4.765 7.442 ( 3.559 0.000 7.474) 8.277 7.575 ( 1.314 0.000 -2.521) 2.843 7.881 ( 9.007 0.000 4.460) 10.051 8.102 ( 4.851 0.000 0.592) 4.887 8.106 ( 6.229 0.000 -15.224) 16.449 8.116 ( 4.498 0.000 -0.594) 4.537 8.617 ( 6.029 0.000 3.137) 6.797 8.722 ( 2.323 0.000 -3.105) 3.878 8.828 ( -1.768 0.000 1.745) 2.484 8.893 ( -4.352 0.000 -1.672) 4.662 8.977 ( -0.609 0.000 0.569) 0.833 8.991 ( -0.875 0.000 -0.605) 1.064 9.061 ( -2.070 0.000 0.885) 2.251 9.112 ( 4.647 0.000 -2.679) 5.364 9.150 ( 0.109 0.000 0.326) 0.344 9.157 ( -0.029 0.000 -0.282) 0.283 9.585 ( -1.450 0.000 12.224) 12.310 9.799 ( 0.031 0.000 -5.965) 5.966 9.924 ( 10.040 0.000 0.931) 10.083 9.964 ( 7.771 0.000 -2.003) 8.025 10.083 ( 0.774 0.000 0.036) 0.775 10.084 ( 0.755 0.000 -0.036) 0.756 10.164 ( 1.857 0.000 8.256) 8.462 10.391 ( 4.002 0.000 -10.561) 11.294 10.739 ( 1.294 0.000 4.369) 4.557 10.830 ( 2.553 0.000 -4.105) 4.835 11.756 ( -20.510 0.000 8.473) 22.191 11.917 ( -20.161 0.000 -5.737) 20.962 12.616 ( 2.214 0.000 -0.235) 2.227 12.625 ( 2.581 0.000 -0.990) 2.764 12.867 ( 2.728 0.000 1.513) 3.119 12.885 ( 2.260 0.000 0.259) 2.275 ======================= Grid point 138 (44/80) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 21.359 0.000 -0.133) 21.359 1.580 ( 20.075 0.000 3.126) 20.317 1.581 ( 16.223 0.000 -4.203) 16.758 1.668 ( 15.288 0.000 -4.683) 15.989 2.083 ( -4.274 0.000 6.482) 7.764 2.104 ( -1.588 0.000 10.555) 10.674 2.223 ( -10.284 0.000 -5.769) 11.792 2.310 ( -5.963 0.000 -7.130) 9.295 2.712 ( 1.924 0.000 1.895) 2.701 2.744 ( 0.941 0.000 -0.931) 1.323 2.877 ( -4.180 0.000 1.661) 4.497 2.886 ( 12.038 0.000 9.610) 15.403 2.918 ( -5.790 0.000 -1.772) 6.055 3.106 ( 9.192 0.000 -9.256) 13.044 3.431 ( 5.006 0.000 3.600) 6.166 3.576 ( 16.499 0.000 -3.696) 16.908 3.655 ( -3.331 0.000 4.570) 5.655 3.802 ( -17.952 0.000 -7.529) 19.467 4.359 ( -15.643 0.000 7.031) 17.150 4.448 ( -10.903 0.000 -2.131) 11.109 4.800 ( -0.719 0.000 2.007) 2.132 4.915 ( -8.226 0.000 -6.795) 10.670 5.403 ( 1.110 0.000 2.845) 3.053 5.500 ( 3.569 0.000 -4.748) 5.940 5.710 ( -7.256 0.000 5.032) 8.830 5.797 ( -6.684 0.000 -2.295) 7.067 5.865 ( -4.281 0.000 3.058) 5.261 5.891 ( -4.553 0.000 0.817) 4.626 6.088 ( -1.236 0.000 0.282) 1.267 6.095 ( -1.531 0.000 -0.305) 1.561 6.280 ( 1.027 0.000 1.291) 1.650 6.314 ( -0.460 0.000 -1.613) 1.677 6.519 ( 2.896 0.000 1.293) 3.171 6.545 ( 1.769 0.000 -0.935) 2.001 6.925 ( -5.100 0.000 0.267) 5.107 6.931 ( -5.397 0.000 -0.282) 5.404 7.044 ( 5.194 0.000 3.627) 6.334 7.134 ( 2.587 0.000 -3.075) 4.019 7.200 ( 2.695 0.000 -0.184) 2.701 7.225 ( 2.297 0.000 -3.064) 3.829 7.482 ( 1.536 0.000 5.617) 5.823 7.574 ( -1.420 0.000 -1.100) 1.796 8.051 ( 7.185 0.000 0.893) 7.240 8.181 ( 1.290 0.000 -9.601) 9.687 8.185 ( 3.058 0.000 0.292) 3.072 8.192 ( 2.713 0.000 -0.294) 2.729 8.675 ( 1.033 0.000 2.341) 2.559 8.729 ( -0.901 0.000 -0.928) 1.293 8.789 ( -1.884 0.000 -0.419) 1.930 8.817 ( -3.058 0.000 -1.706) 3.501 8.966 ( -0.380 0.000 0.313) 0.493 8.974 ( -0.730 0.000 -0.322) 0.798 9.093 ( 4.690 0.000 7.493) 8.840 9.152 ( 0.115 0.000 0.170) 0.205 9.156 ( -0.066 0.000 -0.158) 0.171 9.211 ( 2.938 0.000 0.863) 3.062 9.593 ( 2.341 0.000 4.880) 5.413 9.753 ( -3.502 0.000 -6.479) 7.365 10.076 ( 4.755 0.000 0.752) 4.814 10.088 ( 3.707 0.000 -0.453) 3.734 10.097 ( 0.541 0.000 0.018) 0.541 10.097 ( 0.520 0.000 -0.018) 0.520 10.234 ( 5.102 0.000 5.787) 7.715 10.430 ( -1.318 0.000 -10.667) 10.748 10.842 ( 8.993 0.000 3.308) 9.582 10.911 ( 6.595 0.000 -2.944) 7.222 11.357 ( -17.979 0.000 8.195) 19.758 11.511 ( -19.220 0.000 -5.446) 19.977 12.660 ( 1.849 0.000 0.275) 1.869 12.671 ( 1.583 0.000 -0.609) 1.696 12.910 ( 1.483 0.000 0.795) 1.683 12.920 ( 1.067 0.000 -0.005) 1.067 ======================= Grid point 139 (45/80) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -4.052 0.000 1.295) 4.254 1.851 ( 4.052 0.000 1.295) 4.254 1.923 ( -2.745 0.000 0.224) 2.754 1.923 ( 2.745 0.000 0.224) 2.755 1.963 ( -8.411 0.000 -0.247) 8.415 1.963 ( 8.411 0.000 -0.247) 8.415 2.048 ( -9.588 0.000 -1.724) 9.742 2.048 ( 9.588 0.000 -1.724) 9.742 2.764 ( -1.555 0.000 0.209) 1.569 2.764 ( 1.555 0.000 0.209) 1.569 2.824 ( -1.770 0.000 -0.186) 1.780 2.824 ( 1.770 0.000 -0.186) 1.780 3.176 ( -13.068 0.000 6.825) 14.743 3.176 ( 13.068 0.000 6.825) 14.743 3.414 ( -14.939 0.000 -8.568) 17.222 3.414 ( 14.939 0.000 -8.568) 17.222 3.953 ( -15.138 0.000 4.652) 15.836 3.953 ( 15.138 0.000 4.652) 15.836 4.074 ( -17.460 0.000 -0.787) 17.478 4.074 ( 17.460 0.000 -0.787) 17.478 4.821 ( -2.710 0.000 -4.567) 5.310 4.821 ( 2.710 0.000 -4.567) 5.310 5.470 ( -5.119 0.000 1.541) 5.346 5.470 ( 5.119 0.000 1.541) 5.346 5.697 ( -4.500 0.000 0.331) 4.512 5.697 ( 4.500 0.000 0.331) 4.512 5.823 ( -1.348 0.000 1.928) 2.352 5.823 ( 1.348 0.000 1.928) 2.352 6.077 ( -0.181 0.000 0.012) 0.182 6.077 ( 0.181 0.000 0.012) 0.182 6.299 ( -0.874 0.000 -0.030) 0.875 6.299 ( 0.874 0.000 -0.030) 0.875 6.562 ( -0.679 0.000 0.025) 0.679 6.562 ( 0.679 0.000 0.025) 0.679 6.868 ( -0.158 0.000 -0.008) 0.158 6.868 ( 0.158 0.000 -0.008) 0.158 7.132 ( -2.809 0.000 1.106) 3.018 7.132 ( 2.809 0.000 1.106) 3.018 7.238 ( -0.905 0.000 -1.970) 2.168 7.238 ( 0.905 0.000 -1.970) 2.168 7.527 ( -2.724 0.000 1.932) 3.340 7.527 ( 2.724 0.000 1.932) 3.340 8.159 ( -3.339 0.000 -4.637) 5.714 8.159 ( 3.339 0.000 -4.637) 5.714 8.219 ( -0.170 0.000 -0.000) 0.170 8.219 ( 0.170 0.000 -0.000) 0.170 8.700 ( -1.641 0.000 0.587) 1.743 8.700 ( 1.641 0.000 0.587) 1.743 8.775 ( -0.826 0.000 -1.476) 1.692 8.775 ( 0.826 0.000 -1.476) 1.692 8.964 ( -0.190 0.000 0.000) 0.190 8.964 ( 0.190 0.000 0.000) 0.190 9.154 ( -0.098 0.000 -0.000) 0.098 9.154 ( 0.098 0.000 -0.000) 0.098 9.196 ( -4.003 0.000 8.533) 9.425 9.196 ( 4.003 0.000 8.533) 9.425 9.669 ( -4.483 0.000 -4.060) 6.048 9.669 ( 4.483 0.000 -4.060) 6.048 10.103 ( -0.011 0.000 -0.000) 0.011 10.103 ( 0.011 0.000 -0.000) 0.011 10.124 ( -0.154 0.000 0.439) 0.465 10.124 ( 0.154 0.000 0.439) 0.465 10.349 ( -5.622 0.000 -2.932) 6.341 10.349 ( 5.622 0.000 -2.932) 6.341 11.050 ( -11.994 0.000 5.022) 13.003 11.050 ( 11.994 0.000 5.022) 13.003 11.150 ( -15.902 0.000 -3.676) 16.322 11.150 ( 15.902 0.000 -3.676) 16.322 12.684 ( -0.326 0.000 0.055) 0.330 12.684 ( 0.326 0.000 0.055) 0.330 12.928 ( -0.250 0.000 0.189) 0.313 12.928 ( 0.250 0.000 0.189) 0.313 ======================= Grid point 144 (46/80) ======================= q-point: ( 0.00 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 0.000 17.351 17.757) 24.826 0.765 ( 0.000 16.742 19.468) 25.677 1.155 ( 0.000 11.304 -13.664) 17.734 1.183 ( 0.000 20.777 -16.762) 26.696 1.279 ( 0.000 36.916 18.324) 41.214 1.742 ( 0.000 12.948 -15.355) 20.085 2.318 ( 0.000 17.948 4.816) 18.583 2.520 ( 0.000 9.505 -8.615) 12.828 2.761 ( 0.000 4.967 7.889) 9.323 2.839 ( 0.000 5.964 -0.359) 5.975 2.864 ( 0.000 9.059 2.380) 9.367 3.028 ( 0.000 3.882 -8.617) 9.451 3.199 ( 0.000 15.771 5.901) 16.839 3.315 ( 0.000 16.654 -4.263) 17.191 3.485 ( 0.000 1.881 4.274) 4.670 3.564 ( 0.000 3.102 -0.195) 3.108 4.136 ( 0.000 0.013 6.429) 6.429 4.325 ( 0.000 -1.111 -4.857) 4.983 4.589 ( 0.000 -3.726 0.980) 3.853 4.638 ( 0.000 -4.168 0.142) 4.171 5.101 ( 0.000 -6.367 6.820) 9.330 5.318 ( 0.000 -3.303 -10.470) 10.979 5.503 ( 0.000 -1.710 4.506) 4.819 5.596 ( 0.000 -2.589 -3.975) 4.744 5.728 ( 0.000 -6.340 1.061) 6.428 5.748 ( 0.000 -7.911 -0.433) 7.923 6.138 ( 0.000 -5.968 8.261) 10.191 6.195 ( 0.000 -0.734 0.606) 0.952 6.244 ( 0.000 -1.089 -1.325) 1.715 6.299 ( 0.000 -2.737 -3.202) 4.213 6.327 ( 0.000 -5.639 1.080) 5.741 6.335 ( 0.000 -10.745 0.249) 10.748 6.662 ( 0.000 16.929 -1.009) 16.959 6.766 ( 0.000 11.502 -10.152) 15.341 6.938 ( 0.000 -1.390 2.002) 2.438 6.970 ( 0.000 -3.062 -1.056) 3.239 7.080 ( 0.000 5.803 1.918) 6.112 7.117 ( 0.000 4.196 -0.911) 4.294 7.164 ( 0.000 -5.826 0.890) 5.893 7.166 ( 0.000 1.993 2.823) 3.455 7.217 ( 0.000 6.298 8.266) 10.391 7.591 ( 0.000 10.883 -5.032) 11.990 7.680 ( 0.000 21.960 -24.148) 32.640 7.693 ( 0.000 1.841 -2.589) 3.176 7.879 ( 0.000 -5.902 -0.950) 5.978 7.888 ( 0.000 -8.044 -0.535) 8.061 8.343 ( 0.000 2.447 6.521) 6.965 8.528 ( 0.000 -0.278 -8.923) 8.927 8.859 ( 0.000 -6.903 3.195) 7.606 8.891 ( 0.000 -11.144 0.373) 11.151 8.923 ( 0.000 -6.158 0.824) 6.213 8.955 ( 0.000 -6.418 -1.581) 6.610 9.013 ( 0.000 -5.338 5.727) 7.829 9.188 ( 0.000 -5.057 -9.578) 10.830 9.210 ( 0.000 1.609 -0.945) 1.866 9.223 ( 0.000 -0.646 -0.837) 1.057 9.453 ( 0.000 0.817 0.555) 0.988 9.475 ( 0.000 0.945 -1.569) 1.831 9.829 ( 0.000 6.356 6.948) 9.416 9.989 ( 0.000 7.620 -7.577) 10.746 10.114 ( 0.000 3.120 6.681) 7.374 10.166 ( 0.000 8.442 -0.514) 8.457 10.225 ( 0.000 7.735 3.461) 8.474 10.334 ( 0.000 2.816 -4.389) 5.215 10.794 ( 0.000 3.026 2.561) 3.965 10.841 ( 0.000 5.986 -1.857) 6.267 12.171 ( 0.000 -11.865 4.687) 12.757 12.278 ( 0.000 -12.603 -5.134) 13.608 12.534 ( 0.000 -7.738 5.859) 9.706 12.584 ( 0.000 -4.974 -0.188) 4.978 12.725 ( 0.000 -2.691 2.627) 3.760 12.758 ( 0.000 -3.993 0.166) 3.996 ======================= Grid point 145 (47/80) ======================= q-point: ( 0.12 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 11.720 13.698 13.244) 22.370 0.970 ( 15.293 17.542 12.359) 26.350 1.207 ( 4.652 9.212 -18.218) 20.938 1.279 ( 9.830 19.435 -13.451) 25.598 1.582 ( 25.284 26.953 16.063) 40.296 1.851 ( 9.267 11.364 -2.479) 14.872 2.318 ( 0.078 17.048 7.190) 18.503 2.514 ( -0.482 10.328 -9.889) 14.307 2.812 ( 0.732 6.173 1.429) 6.378 2.831 ( 1.417 6.571 -0.496) 6.741 2.861 ( 1.793 8.000 2.361) 8.532 3.020 ( -0.784 4.486 -9.005) 10.091 3.180 ( -1.936 15.555 4.914) 16.427 3.281 ( -3.285 15.902 -3.566) 16.624 3.360 ( -8.779 2.999 5.530) 10.800 3.509 ( -5.960 2.528 -6.385) 9.092 4.122 ( -3.988 0.265 10.481) 11.217 4.258 ( -3.136 1.094 -1.285) 3.561 4.562 ( -0.833 -2.614 8.224) 8.669 4.732 ( 1.631 -3.926 -8.969) 9.925 4.952 ( -8.131 -2.022 3.186) 8.964 5.094 ( -12.119 -1.422 -7.989) 14.585 5.566 ( -4.531 -6.214 0.734) 7.726 5.575 ( -4.296 -6.150 0.256) 7.506 5.750 ( 2.646 -6.426 0.737) 6.988 5.778 ( 4.258 -5.005 -1.315) 6.702 6.050 ( -6.759 -5.561 8.099) 11.925 6.176 ( -6.061 -4.922 -2.062) 8.076 6.199 ( -1.681 -0.585 -0.062) 1.781 6.242 ( -4.681 -1.622 -2.731) 5.657 6.343 ( 1.578 -2.080 1.687) 3.109 6.376 ( 2.659 -5.657 -0.983) 6.327 6.539 ( -7.131 13.312 1.447) 15.171 6.610 ( -11.066 13.052 -3.767) 17.522 6.884 ( -0.060 0.495 0.627) 0.801 6.938 ( 1.759 -1.501 -3.812) 4.458 7.064 ( -1.510 1.283 1.342) 2.393 7.088 ( -1.647 -0.150 -1.099) 1.985 7.186 ( 0.329 0.228 1.120) 1.190 7.197 ( 0.949 0.669 0.217) 1.181 7.350 ( 8.446 6.062 11.816) 15.738 7.580 ( -0.449 4.553 -3.327) 5.657 7.731 ( 5.081 1.314 0.449) 5.268 7.846 ( 7.586 -4.993 -8.333) 12.325 7.931 ( 5.096 -6.501 0.978) 8.318 8.016 ( 7.902 1.483 -12.773) 15.093 8.463 ( 9.316 1.999 2.896) 9.958 8.602 ( 5.724 -2.012 -6.994) 9.259 8.840 ( -1.844 -6.444 2.075) 7.017 8.879 ( -2.056 -8.052 -1.091) 8.382 8.925 ( 0.192 -6.134 0.637) 6.170 8.941 ( -0.181 -4.411 -0.324) 4.426 8.988 ( -0.569 -3.049 4.968) 5.857 9.146 ( -2.789 -0.927 -8.509) 9.002 9.194 ( -1.168 1.208 0.486) 1.749 9.213 ( -0.673 1.979 -1.377) 2.503 9.555 ( 7.523 -5.443 0.432) 9.296 9.573 ( 7.358 -5.354 -1.296) 9.192 9.764 ( -4.757 6.428 11.917) 14.351 9.970 ( -2.160 6.553 -7.053) 9.867 10.149 ( 2.680 4.070 5.042) 7.012 10.198 ( 3.488 9.421 -0.320) 10.051 10.240 ( 2.056 9.378 2.358) 9.886 10.353 ( 1.906 2.692 -5.571) 6.474 10.774 ( -1.524 2.493 3.107) 4.265 10.842 ( 0.273 4.868 -3.014) 5.732 12.025 ( -13.947 -11.435 7.148) 19.401 12.156 ( -11.833 -12.104 -4.797) 17.594 12.543 ( 1.908 -3.177 1.444) 3.978 12.569 ( -0.063 -2.677 -0.873) 2.816 12.765 ( 3.109 -3.665 1.985) 5.200 12.785 ( 2.269 -3.915 0.470) 4.549 ======================= Grid point 146 (48/80) ======================= q-point: ( 0.25 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 19.777 8.303 4.241) 21.864 1.316 ( 16.049 11.019 -0.358) 19.470 1.384 ( 14.598 11.682 -4.427) 19.214 1.542 ( 14.989 16.917 -9.166) 24.390 2.044 ( 8.601 7.556 10.916) 15.819 2.131 ( 23.898 13.778 4.410) 27.935 2.320 ( -0.119 15.715 8.474) 17.855 2.496 ( -1.275 12.386 -7.755) 14.669 2.769 ( -4.020 5.852 2.979) 7.699 2.803 ( -2.480 5.461 -0.842) 6.056 2.966 ( -1.627 9.376 -3.256) 10.058 3.015 ( 3.866 7.840 -6.217) 10.727 3.133 ( -1.122 14.550 0.506) 14.602 3.192 ( -6.212 14.851 -2.842) 16.346 3.268 ( 4.881 3.290 3.411) 6.803 3.410 ( -0.581 2.150 -8.430) 8.719 3.932 ( -13.594 1.134 12.443) 18.464 4.141 ( -11.882 0.184 -5.348) 13.031 4.537 ( -1.925 -0.088 4.768) 5.143 4.616 ( -8.903 -0.781 1.389) 9.045 4.817 ( -4.385 -1.260 3.226) 5.588 5.024 ( -1.036 -3.781 -12.507) 13.107 5.401 ( -6.044 -4.041 3.793) 8.201 5.470 ( -4.761 -3.778 -3.079) 6.813 5.755 ( -3.488 -8.500 4.310) 10.148 5.818 ( -1.593 -5.871 -1.371) 6.236 5.917 ( -5.058 -3.050 4.217) 7.257 6.000 ( -10.019 -5.571 -2.774) 11.794 6.142 ( -2.875 -0.355 0.393) 2.924 6.158 ( -3.391 1.237 -0.664) 3.670 6.360 ( 0.089 5.481 1.428) 5.664 6.405 ( -0.038 5.059 -2.454) 5.623 6.486 ( 1.189 0.832 1.045) 1.789 6.499 ( -0.562 2.866 0.112) 2.923 6.863 ( -1.858 -5.434 2.639) 6.320 6.923 ( -3.875 -7.695 -2.195) 8.891 7.089 ( 2.925 2.344 -0.296) 3.760 7.110 ( 3.248 2.666 -1.720) 4.540 7.181 ( 0.399 3.767 1.323) 4.013 7.217 ( 1.346 3.472 -2.063) 4.257 7.450 ( 1.968 0.423 7.070) 7.351 7.580 ( 0.084 0.245 -2.798) 2.810 7.867 ( 6.840 -1.376 3.326) 7.729 7.973 ( 5.033 -8.702 -3.177) 10.542 8.055 ( 6.725 -4.102 1.219) 7.971 8.147 ( 5.537 -0.309 -8.957) 10.535 8.612 ( 4.462 -1.916 2.083) 5.284 8.683 ( 1.770 -6.180 -2.556) 6.918 8.788 ( -3.114 -5.729 1.094) 6.612 8.805 ( -4.318 -2.506 -0.237) 4.998 8.933 ( 0.806 -4.658 1.017) 4.836 8.950 ( 0.758 -2.906 0.697) 3.083 9.027 ( 2.228 -0.783 0.385) 2.393 9.139 ( 3.761 3.183 -6.155) 7.884 9.171 ( -1.304 -0.038 0.834) 1.548 9.191 ( -1.483 2.028 -1.183) 2.777 9.663 ( 0.068 3.354 9.352) 9.935 9.703 ( 4.426 -11.029 2.196) 12.085 9.717 ( 3.585 -9.739 1.412) 10.474 9.909 ( -3.486 5.428 -6.470) 9.137 10.191 ( 1.720 2.953 6.337) 7.200 10.296 ( 4.985 11.474 -0.757) 12.533 10.315 ( 4.430 12.849 0.344) 13.596 10.412 ( 3.634 2.468 -9.195) 10.190 10.755 ( 0.588 1.341 4.857) 5.073 10.858 ( 1.515 2.509 -4.730) 5.564 11.680 ( -18.422 -7.486 8.493) 21.623 11.840 ( -17.762 -7.697 -5.621) 20.157 12.592 ( 2.228 -2.293 -0.291) 3.211 12.597 ( 2.389 -2.569 -0.575) 3.555 12.828 ( 2.699 -3.786 0.958) 4.748 12.836 ( 2.445 -4.333 0.473) 4.998 ======================= Grid point 147 (49/80) ======================= q-point: ( 0.38 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 19.629 4.715 0.029) 20.188 1.614 ( 14.782 5.513 -3.531) 16.167 1.755 ( 18.602 13.410 3.516) 23.200 1.846 ( 13.770 14.623 -4.295) 20.540 2.131 ( -0.190 7.505 7.074) 10.315 2.282 ( -5.747 10.241 -1.694) 11.865 2.304 ( -4.828 12.929 3.189) 14.164 2.458 ( -9.507 14.569 -4.032) 17.858 2.720 ( 4.995 1.685 3.165) 6.148 2.783 ( 1.308 3.594 -2.183) 4.404 2.988 ( -4.223 10.487 1.395) 11.391 3.003 ( 3.455 12.396 2.674) 13.144 3.063 ( -3.002 12.210 0.789) 12.598 3.191 ( 6.640 8.764 -7.590) 13.360 3.464 ( 3.364 3.644 3.985) 6.362 3.601 ( 16.880 2.879 -2.742) 17.342 3.672 ( -2.350 1.869 4.014) 5.012 3.815 ( -15.916 1.753 -7.153) 17.537 4.359 ( -15.098 -0.014 7.613) 16.909 4.461 ( -10.659 1.339 -2.557) 11.043 4.787 ( -0.224 -1.045 1.653) 1.969 4.891 ( -7.137 -2.046 -6.507) 9.872 5.383 ( 1.881 -2.200 2.800) 4.027 5.468 ( 3.916 -3.043 -3.944) 6.336 5.644 ( -5.759 -6.311 4.681) 9.742 5.726 ( -5.632 -6.215 -2.571) 8.773 5.820 ( -5.171 -3.767 1.980) 6.697 5.840 ( -5.141 -4.620 0.430) 6.925 6.097 ( -1.498 0.549 0.674) 1.732 6.105 ( -1.827 0.973 0.271) 2.088 6.366 ( 0.534 6.958 1.095) 7.064 6.395 ( -0.676 6.784 -1.440) 6.968 6.528 ( 2.405 0.605 0.303) 2.499 6.528 ( 2.270 -1.453 0.214) 2.704 6.818 ( -2.473 -7.259 0.776) 7.708 6.835 ( -4.007 -7.228 -0.643) 8.290 7.135 ( 2.457 4.902 1.721) 5.747 7.179 ( 2.368 2.936 -1.249) 3.973 7.216 ( 2.286 1.136 0.145) 2.557 7.250 ( 1.294 2.124 -3.643) 4.411 7.471 ( 1.044 -1.298 5.589) 5.832 7.565 ( -1.756 -0.969 -1.380) 2.434 7.978 ( 4.081 -5.953 -0.339) 7.226 8.040 ( 1.453 -8.332 -3.904) 9.315 8.192 ( 6.087 -0.566 1.368) 6.265 8.244 ( 3.659 0.377 -3.910) 5.369 8.655 ( 0.573 -3.098 1.699) 3.580 8.694 ( -0.195 -7.617 -1.033) 7.689 8.721 ( -3.295 -4.195 -0.399) 5.349 8.726 ( -2.861 -4.183 -0.315) 5.078 8.954 ( 0.986 -2.315 0.877) 2.664 8.965 ( 0.450 -1.064 0.215) 1.175 9.074 ( 2.464 -0.006 4.497) 5.128 9.134 ( -2.109 -1.071 0.608) 2.443 9.172 ( 0.694 0.735 0.898) 1.352 9.234 ( 3.060 2.012 -2.870) 4.652 9.667 ( 1.717 5.121 7.534) 9.269 9.765 ( 1.013 -13.961 0.535) 14.008 9.789 ( 2.476 -12.074 -1.810) 12.457 9.841 ( -2.746 3.455 -5.382) 6.960 10.242 ( 3.758 1.423 4.788) 6.250 10.367 ( 2.050 9.203 -2.445) 9.740 10.390 ( 2.419 13.571 0.417) 13.792 10.444 ( -1.635 3.933 -7.604) 8.716 10.849 ( 8.723 0.408 3.535) 9.421 10.923 ( 5.850 0.999 -3.372) 6.826 11.321 ( -16.025 -3.543 8.290) 18.387 11.475 ( -17.558 -3.660 -5.360) 18.719 12.633 ( 1.662 -2.538 0.138) 3.036 12.639 ( 1.532 -2.875 -0.395) 3.282 12.869 ( 1.369 -4.069 0.563) 4.330 12.874 ( 1.191 -4.429 0.102) 4.588 ======================= Grid point 148 (50/80) ======================= q-point: (-0.50 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -1.371 2.688 0.040) 3.018 1.847 ( 1.371 2.688 0.040) 3.018 1.998 ( -2.613 5.542 -0.851) 6.186 1.998 ( 2.613 5.542 -0.851) 6.186 2.165 ( -6.659 16.003 1.444) 17.393 2.165 ( 6.659 16.003 1.444) 17.393 2.195 ( -9.382 16.252 -0.066) 18.766 2.195 ( 9.382 16.252 -0.066) 18.766 2.812 ( -1.462 4.180 -0.684) 4.481 2.812 ( 1.462 4.180 -0.684) 4.481 2.933 ( -1.687 9.905 -0.362) 10.054 2.933 ( 1.687 9.905 -0.362) 10.054 3.232 ( -11.481 6.343 6.545) 14.659 3.232 ( 11.481 6.343 6.545) 14.659 3.439 ( -13.976 3.091 -8.493) 16.644 3.439 ( 13.976 3.091 -8.493) 16.644 3.986 ( -18.707 2.934 5.993) 19.862 3.986 ( 18.707 2.934 5.993) 19.862 4.088 ( -21.605 1.973 -2.022) 21.788 4.088 ( 21.605 1.973 -2.022) 21.788 4.811 ( -2.408 -0.799 -4.069) 4.795 4.811 ( 2.408 -0.799 -4.069) 4.795 5.455 ( -4.797 -1.869 2.144) 5.578 5.455 ( 4.797 -1.869 2.144) 5.578 5.638 ( -4.386 -5.200 -0.587) 6.828 5.638 ( 4.386 -5.200 -0.587) 6.828 5.765 ( -1.269 -5.340 1.140) 5.605 5.765 ( 1.269 -5.340 1.140) 5.605 6.084 ( -0.206 0.793 0.623) 1.030 6.084 ( 0.206 0.793 0.623) 1.030 6.380 ( -0.774 6.901 -0.023) 6.944 6.380 ( 0.774 6.901 -0.023) 6.944 6.559 ( -0.043 -0.258 0.142) 0.298 6.559 ( 0.043 -0.258 0.142) 0.298 6.786 ( -0.257 -6.787 -0.073) 6.792 6.786 ( 0.257 -6.787 -0.073) 6.792 7.186 ( -1.732 3.755 0.853) 4.222 7.186 ( 1.732 3.755 0.853) 4.222 7.252 ( -1.058 0.924 -1.691) 2.198 7.252 ( 1.058 0.924 -1.691) 2.198 7.513 ( -2.908 -1.453 1.812) 3.722 7.513 ( 2.908 -1.453 1.812) 3.722 8.036 ( -1.629 -8.048 -3.330) 8.861 8.036 ( 1.629 -8.048 -3.330) 8.861 8.272 ( -1.351 1.401 -0.430) 1.993 8.272 ( 1.351 1.401 -0.430) 1.993 8.668 ( -1.385 -3.933 0.618) 4.215 8.668 ( 1.385 -3.933 0.618) 4.215 8.695 ( -0.441 -6.350 -1.128) 6.464 8.695 ( 0.441 -6.350 -1.128) 6.464 8.967 ( -0.280 0.013 0.458) 0.537 8.967 ( 0.280 0.013 0.458) 0.537 9.101 ( -0.979 -2.707 1.519) 3.254 9.101 ( 0.979 -2.707 1.519) 3.254 9.229 ( -3.048 1.409 3.712) 5.006 9.229 ( 3.048 1.409 3.712) 5.006 9.726 ( -3.533 0.890 0.011) 3.643 9.726 ( 3.533 0.890 0.011) 3.643 9.818 ( -0.529 -10.020 -2.387) 10.314 9.818 ( 0.529 -10.020 -2.387) 10.314 10.341 ( -5.203 -0.266 -2.181) 5.648 10.341 ( 5.203 -0.266 -2.181) 5.648 10.410 ( -0.330 13.176 -0.072) 13.180 10.410 ( 0.330 13.176 -0.072) 13.180 11.044 ( -10.215 -0.913 4.545) 11.218 11.044 ( 10.215 -0.913 4.545) 11.218 11.144 ( -14.077 -0.530 -3.331) 14.476 11.144 ( 14.077 -0.530 -3.331) 14.476 12.653 ( -0.210 -2.834 0.041) 2.842 12.653 ( 0.210 -2.834 0.041) 2.842 12.884 ( -0.165 -4.297 0.172) 4.304 12.884 ( 0.165 -4.297 0.172) 4.304 ======================= Grid point 153 (51/80) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.000 18.524 15.472) 24.135 1.163 ( 0.000 24.238 10.633) 26.468 1.446 ( 0.000 18.252 -13.202) 22.527 1.489 ( 0.000 12.527 -18.379) 22.242 2.111 ( 0.000 44.231 9.076) 45.153 2.203 ( 0.000 28.622 5.069) 29.068 2.663 ( 0.000 5.386 5.112) 7.426 2.728 ( 0.000 23.239 -6.506) 24.132 2.939 ( 0.000 11.487 -2.485) 11.753 2.984 ( 0.000 8.202 -2.298) 8.517 3.103 ( 0.000 14.482 1.520) 14.562 3.171 ( 0.000 11.122 -6.015) 12.644 3.570 ( 0.000 7.667 4.323) 8.802 3.595 ( 0.000 22.857 6.765) 23.837 3.668 ( 0.000 8.324 -1.802) 8.517 3.736 ( 0.000 24.219 -4.962) 24.722 4.156 ( 0.000 2.441 6.600) 7.037 4.363 ( 0.000 3.574 -8.908) 9.598 4.554 ( 0.000 1.121 -0.182) 1.136 4.556 ( 0.000 -3.533 0.126) 3.535 4.986 ( 0.000 -5.481 10.881) 12.184 5.230 ( 0.000 -5.746 -9.796) 11.357 5.480 ( 0.000 -1.081 2.522) 2.744 5.550 ( 0.000 -3.247 -4.268) 5.362 5.587 ( 0.000 -8.009 0.444) 8.021 5.591 ( 0.000 -6.796 0.205) 6.799 5.993 ( 0.000 -8.275 7.048) 10.870 6.088 ( 0.000 -10.254 0.102) 10.255 6.121 ( 0.000 -10.829 0.596) 10.846 6.175 ( 0.000 -9.217 -2.409) 9.526 6.187 ( 0.000 -4.811 -0.237) 4.817 6.201 ( 0.000 -5.278 -1.608) 5.518 6.842 ( 0.000 -4.656 0.145) 4.658 6.854 ( 0.000 -5.144 -1.505) 5.360 6.900 ( 0.000 -2.136 -0.929) 2.330 6.931 ( 0.000 4.071 -4.738) 6.247 6.998 ( 0.000 -7.214 1.534) 7.376 7.037 ( 0.000 -7.428 -1.874) 7.661 7.241 ( 0.000 9.201 1.229) 9.283 7.253 ( 0.000 8.296 0.486) 8.310 7.499 ( 0.000 14.621 20.772) 25.401 7.658 ( 0.000 -1.239 0.989) 1.585 7.695 ( 0.000 -4.945 -1.717) 5.235 7.731 ( 0.000 -2.173 2.359) 3.207 7.768 ( 0.000 0.410 -0.700) 0.811 8.012 ( 0.000 5.416 -20.509) 21.212 8.408 ( 0.000 2.338 -3.027) 3.825 8.494 ( 0.000 -3.779 -6.055) 7.138 8.622 ( 0.000 -13.111 0.325) 13.116 8.627 ( 0.000 -12.958 -0.066) 12.958 8.803 ( 0.000 -5.387 1.740) 5.661 8.867 ( 0.000 -4.767 -4.093) 6.283 8.893 ( 0.000 -8.498 4.340) 9.542 8.984 ( 0.000 -9.103 -4.130) 9.996 9.292 ( 0.000 7.174 0.774) 7.216 9.347 ( 0.000 7.530 -5.146) 9.120 9.481 ( 0.000 2.295 0.629) 2.379 9.507 ( 0.000 2.318 -1.738) 2.897 9.953 ( 0.000 5.379 6.807) 8.676 10.091 ( 0.000 1.122 -0.623) 1.283 10.139 ( 0.000 0.719 8.269) 8.300 10.311 ( 0.000 4.406 -4.060) 5.991 10.387 ( 0.000 7.920 -0.012) 7.920 10.395 ( 0.000 4.240 -0.859) 4.326 10.813 ( 0.000 -1.164 6.671) 6.772 10.939 ( 0.000 2.395 -4.455) 5.058 11.866 ( 0.000 -17.089 2.487) 17.269 11.923 ( 0.000 -21.702 -2.475) 21.843 12.469 ( 0.000 -0.619 2.580) 2.653 12.512 ( 0.000 -2.088 -1.328) 2.474 12.676 ( 0.000 -2.512 1.474) 2.912 12.701 ( 0.000 -2.687 -0.603) 2.754 ======================= Grid point 154 (52/80) ======================= q-point: ( 0.12 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 7.510 19.989 10.203) 23.665 1.308 ( 12.031 18.401 10.856) 24.519 1.455 ( 3.208 15.770 -14.080) 21.383 1.601 ( 9.207 14.060 -13.065) 21.287 2.246 ( 4.673 26.489 7.784) 28.001 2.266 ( 12.376 37.255 5.804) 39.684 2.627 ( -1.820 9.926 6.760) 12.147 2.767 ( 1.747 18.129 -7.377) 19.650 2.980 ( -0.051 9.791 0.324) 9.797 3.012 ( 4.444 12.414 -2.593) 13.438 3.085 ( 0.851 13.648 0.249) 13.677 3.177 ( 0.556 11.330 -7.291) 13.485 3.468 ( -7.176 10.098 3.799) 12.958 3.568 ( -2.667 22.114 5.710) 22.995 3.601 ( -6.640 7.700 -6.526) 12.082 3.695 ( -4.246 23.474 -4.893) 24.351 4.148 ( -2.379 2.969 10.055) 10.751 4.301 ( -4.635 3.162 -1.336) 5.768 4.532 ( 0.227 0.044 3.773) 3.780 4.654 ( 2.807 -3.359 -6.919) 8.187 4.908 ( -4.644 -2.475 4.894) 7.186 5.058 ( -12.191 -2.212 -7.209) 14.335 5.428 ( -7.116 -7.278 1.559) 10.298 5.451 ( -2.585 -6.586 -0.492) 7.092 5.624 ( 0.329 -6.612 2.318) 7.014 5.693 ( 4.008 -4.046 -3.349) 6.607 5.931 ( -4.232 -6.164 6.072) 9.632 6.033 ( -6.167 -8.706 -2.810) 11.032 6.104 ( -1.966 -9.591 1.783) 9.951 6.152 ( 0.193 -6.747 -2.604) 7.235 6.249 ( 5.149 -6.388 1.304) 8.307 6.268 ( 4.834 -5.169 -0.505) 7.095 6.730 ( -8.406 2.980 -0.355) 8.926 6.745 ( -8.649 0.882 -1.212) 8.777 6.852 ( -3.714 -3.564 0.023) 5.148 6.871 ( -4.251 -4.765 -1.160) 6.489 7.070 ( 2.604 -1.899 -1.147) 3.421 7.079 ( 4.213 -1.424 -2.269) 4.993 7.224 ( -0.695 3.184 1.074) 3.432 7.232 ( -0.269 3.741 0.266) 3.760 7.479 ( -1.418 5.819 11.750) 13.189 7.638 ( -3.325 0.616 -2.634) 4.286 7.724 ( 3.916 -3.796 2.686) 6.079 7.772 ( 2.890 2.353 0.896) 3.833 7.821 ( 6.561 -3.526 2.873) 7.983 8.050 ( 2.790 0.733 -13.389) 13.696 8.448 ( 2.711 -5.111 -0.237) 5.790 8.498 ( 0.169 -8.293 -2.542) 8.675 8.689 ( 4.916 -5.913 -0.968) 7.751 8.715 ( 6.244 -7.894 -2.432) 10.354 8.809 ( 0.647 -4.774 1.005) 4.921 8.858 ( -0.573 -4.485 -3.222) 5.552 8.931 ( 3.281 -5.807 4.225) 7.895 9.026 ( 4.172 -6.661 -4.022) 8.828 9.258 ( -2.966 4.912 0.512) 5.761 9.304 ( -3.605 6.256 -4.575) 8.548 9.505 ( 1.759 0.331 0.431) 1.841 9.524 ( 1.439 0.312 -1.411) 2.039 9.874 ( -5.672 3.881 12.587) 14.341 10.075 ( -2.031 3.320 -5.415) 6.669 10.199 ( 3.588 0.989 6.332) 7.344 10.340 ( 2.831 3.559 -4.020) 6.069 10.416 ( 3.232 5.703 -0.370) 6.566 10.423 ( 3.373 6.873 -0.976) 7.718 10.800 ( -1.272 -0.425 5.810) 5.963 10.924 ( -1.282 2.190 -5.153) 5.744 11.747 ( -10.715 -16.057 4.840) 19.902 11.843 ( -7.625 -18.427 -3.513) 20.249 12.495 ( 2.144 -1.541 1.024) 2.832 12.519 ( 0.791 -1.995 -0.983) 2.360 12.694 ( 1.644 -3.407 1.481) 4.063 12.716 ( 1.332 -3.359 -0.467) 3.643 ======================= Grid point 155 (53/80) ======================= q-point: ( 0.25 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 15.033 15.782 4.601) 22.277 1.556 ( 10.619 14.903 -6.106) 19.291 1.648 ( 16.543 13.417 5.059) 21.893 1.837 ( 13.402 12.533 -7.616) 19.867 2.332 ( 4.207 19.496 8.189) 21.561 2.522 ( 6.369 20.675 -7.526) 22.905 2.612 ( 2.419 14.856 10.709) 18.472 2.788 ( 0.949 15.725 -2.775) 15.996 2.950 ( -4.772 12.060 3.052) 13.324 2.957 ( -5.082 12.271 1.268) 13.342 3.222 ( 5.057 14.209 -4.702) 15.798 3.271 ( 8.216 17.595 -5.601) 20.210 3.371 ( 1.831 10.577 1.992) 10.918 3.466 ( -5.892 13.117 -2.925) 14.674 3.511 ( -0.155 13.059 -1.679) 13.168 3.566 ( -7.804 19.924 -3.247) 21.642 3.984 ( -12.734 5.407 11.127) 17.754 4.164 ( -10.824 3.228 -4.074) 12.008 4.524 ( -2.492 -1.566 5.350) 6.106 4.609 ( -4.557 0.347 0.240) 4.576 4.808 ( -4.836 0.776 0.283) 4.906 4.936 ( -1.528 -4.614 -9.844) 10.978 5.305 ( -3.350 -5.416 4.972) 8.079 5.388 ( -2.518 -4.338 -3.171) 5.934 5.575 ( -4.279 -9.554 5.551) 11.849 5.692 ( -4.046 -6.980 -4.949) 9.465 5.847 ( -4.699 -3.846 2.808) 6.690 5.885 ( -7.151 -5.916 -0.804) 9.316 6.089 ( 0.467 -4.897 2.339) 5.447 6.149 ( -0.612 -2.406 -2.636) 3.621 6.349 ( 4.560 -7.025 2.293) 8.683 6.376 ( 4.834 -3.512 -0.094) 5.976 6.585 ( -5.157 4.950 -0.882) 7.202 6.594 ( -4.429 4.963 -1.467) 6.812 6.775 ( -3.373 -4.082 0.601) 5.329 6.784 ( -4.151 -6.138 -0.038) 7.410 7.123 ( 1.993 0.055 -0.729) 2.123 7.138 ( 2.818 -0.391 -1.774) 3.353 7.238 ( 0.482 1.211 0.821) 1.541 7.249 ( 2.247 -0.218 -0.419) 2.296 7.450 ( -1.461 0.229 6.121) 6.297 7.577 ( -2.392 -0.458 -3.906) 4.603 7.797 ( 3.008 -6.156 2.920) 7.448 7.854 ( 3.874 -2.447 -1.328) 4.770 7.980 ( 8.765 -2.559 4.340) 10.110 8.123 ( 4.522 -1.477 -7.794) 9.131 8.493 ( 1.559 -8.977 0.474) 9.124 8.502 ( 0.229 -9.988 -0.093) 9.991 8.730 ( -1.210 -0.602 0.951) 1.653 8.782 ( -1.611 -1.056 -3.169) 3.708 8.830 ( 2.496 -4.918 1.401) 5.690 8.878 ( 2.557 -5.141 -2.238) 6.162 9.011 ( 4.162 -2.776 5.692) 7.578 9.127 ( 3.487 -3.388 -3.332) 5.894 9.190 ( -3.143 0.920 0.260) 3.285 9.244 ( -0.692 4.001 -5.782) 7.065 9.525 ( -0.034 -4.197 1.248) 4.379 9.553 ( 1.234 -3.606 -1.428) 4.069 9.779 ( -2.876 3.656 14.174) 14.918 10.017 ( -3.247 4.140 -6.779) 8.582 10.241 ( 1.084 1.809 4.549) 5.013 10.393 ( 1.527 0.331 -7.789) 7.944 10.517 ( 5.704 6.942 0.454) 8.996 10.535 ( 6.612 7.538 -1.118) 10.089 10.774 ( -0.350 0.087 5.636) 5.647 10.900 ( -0.635 0.940 -6.049) 6.154 11.485 ( -13.827 -11.794 8.189) 19.933 11.634 ( -12.246 -12.685 -5.074) 18.348 12.540 ( 2.109 -2.523 -0.039) 3.289 12.545 ( 1.670 -2.360 -0.414) 2.921 12.733 ( 1.934 -5.191 0.917) 5.615 12.745 ( 1.336 -4.728 -0.113) 4.914 ======================= Grid point 156 (54/80) ======================= q-point: ( 0.38 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 16.200 11.369 1.377) 19.839 1.795 ( 12.439 12.729 -4.020) 18.246 2.004 ( 16.099 11.069 4.931) 20.150 2.091 ( 8.974 10.337 -1.485) 13.769 2.413 ( 4.479 18.465 0.641) 19.012 2.471 ( -5.907 10.154 -3.378) 12.224 2.679 ( -0.610 20.923 8.369) 22.543 2.768 ( -9.100 12.296 4.443) 15.929 2.856 ( 2.297 16.015 -4.712) 16.851 2.880 ( -0.156 7.133 -4.468) 8.419 3.215 ( -7.776 10.419 1.971) 13.150 3.298 ( -9.496 12.558 -5.030) 16.528 3.345 ( 2.860 18.354 1.729) 18.656 3.419 ( 1.719 12.818 -4.333) 13.639 3.608 ( 2.681 12.161 3.772) 13.012 3.707 ( 16.196 8.332 -2.423) 18.374 3.750 ( -3.526 7.932 6.420) 10.796 3.906 ( -8.387 8.600 -6.968) 13.887 4.362 ( -12.426 0.661 8.926) 15.314 4.499 ( -9.552 2.332 -3.730) 10.516 4.779 ( 0.678 0.755 0.824) 1.307 4.857 ( -3.996 -0.781 -5.711) 7.014 5.313 ( 2.661 -4.859 3.876) 6.761 5.395 ( 2.739 -4.383 -2.841) 5.898 5.494 ( -2.657 -8.018 3.765) 9.248 5.582 ( -4.951 -8.222 -3.844) 10.339 5.732 ( -5.965 -5.508 1.570) 8.270 5.751 ( -6.408 -3.324 -0.159) 7.221 6.103 ( 0.467 -0.116 1.716) 1.782 6.127 ( -1.246 1.156 -0.064) 1.701 6.430 ( 3.319 -6.236 1.180) 7.162 6.452 ( 2.642 -1.660 -0.432) 3.150 6.529 ( -0.649 3.216 0.367) 3.301 6.562 ( 0.176 2.738 -1.594) 3.173 6.704 ( -3.206 -4.430 0.684) 5.511 6.719 ( -2.591 -2.390 -0.529) 3.564 7.170 ( 3.056 -1.681 0.554) 3.532 7.199 ( 2.733 -1.619 -1.334) 3.445 7.241 ( -0.056 1.467 1.010) 1.782 7.282 ( 0.149 0.853 -3.064) 3.184 7.430 ( 0.143 -2.766 5.511) 6.168 7.532 ( -2.531 -2.463 -2.255) 4.190 7.850 ( 2.284 -7.070 0.448) 7.443 7.900 ( 0.641 -6.028 -2.864) 6.705 8.157 ( 7.908 -1.962 2.683) 8.579 8.223 ( 4.599 -1.451 -3.295) 5.840 8.508 ( 0.470 -9.208 0.436) 9.230 8.515 ( 0.820 -8.700 -0.077) 8.739 8.665 ( -4.225 -1.221 0.923) 4.494 8.701 ( -5.156 -1.042 -1.902) 5.594 8.896 ( 3.434 -2.716 1.479) 4.621 8.933 ( 2.907 -2.450 -0.814) 3.888 9.071 ( 0.420 -1.829 4.733) 5.092 9.111 ( -2.572 -1.245 -0.038) 2.857 9.161 ( 1.025 -2.446 0.938) 2.813 9.268 ( 0.148 0.735 -6.050) 6.097 9.523 ( 0.517 -8.149 2.723) 8.607 9.575 ( 0.451 -5.604 -0.317) 5.631 9.771 ( 2.349 2.997 7.521) 8.430 9.950 ( -3.581 4.409 -6.157) 8.377 10.267 ( 1.852 0.956 2.962) 3.622 10.389 ( -2.027 -1.784 -7.649) 8.112 10.599 ( 1.893 7.231 0.964) 7.537 10.621 ( 1.218 8.127 -1.159) 8.299 10.847 ( 7.708 -0.845 3.691) 8.588 10.928 ( 4.143 -1.065 -3.987) 5.847 11.225 ( -11.080 -6.046 8.115) 15.006 11.370 ( -13.245 -7.023 -4.916) 15.777 12.576 ( 1.342 -2.870 -0.042) 3.168 12.578 ( 1.301 -2.887 -0.119) 3.169 12.764 ( 0.984 -6.332 0.331) 6.417 12.766 ( 0.713 -5.946 0.105) 5.989 ======================= Grid point 157 (55/80) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -1.479 9.460 -0.155) 9.577 1.969 ( 1.479 9.460 -0.155) 9.577 2.138 ( -0.439 9.214 -0.729) 9.253 2.138 ( 0.439 9.214 -0.729) 9.253 2.491 ( -6.313 14.762 2.807) 16.299 2.491 ( 6.313 14.762 2.807) 16.299 2.600 ( -2.995 22.471 1.676) 22.732 2.600 ( 2.995 22.471 1.676) 22.732 2.918 ( -0.569 7.785 -3.300) 8.475 2.918 ( 0.569 7.785 -3.300) 8.475 3.112 ( -2.952 6.210 -0.835) 6.926 3.112 ( 2.952 6.210 -0.835) 6.926 3.452 ( -6.801 15.770 3.225) 17.475 3.452 ( 6.801 15.770 3.225) 17.475 3.572 ( -9.880 11.326 -5.247) 15.919 3.572 ( 9.880 11.326 -5.247) 15.919 4.034 ( -12.390 1.877 5.409) 13.649 4.034 ( 12.390 1.877 5.409) 13.649 4.193 ( -15.593 9.325 -1.755) 18.253 4.193 ( 15.593 9.325 -1.755) 18.253 4.808 ( -1.773 1.083 -2.827) 3.508 4.808 ( 1.773 1.083 -2.827) 3.508 5.378 ( -3.441 -6.075 3.623) 7.866 5.378 ( 3.441 -6.075 3.623) 7.866 5.524 ( -2.714 -6.342 -2.914) 7.489 5.524 ( 2.714 -6.342 -2.914) 7.489 5.655 ( -0.605 -4.685 0.711) 4.777 5.655 ( 0.605 -4.685 0.711) 4.777 6.110 ( -0.434 1.797 1.000) 2.102 6.110 ( 0.434 1.797 1.000) 2.102 6.472 ( -0.736 -1.902 -0.780) 2.184 6.472 ( 0.736 -1.902 -0.780) 2.184 6.551 ( -1.906 -0.070 1.408) 2.371 6.551 ( 1.906 -0.070 1.408) 2.371 6.677 ( -1.010 -1.809 -0.825) 2.230 6.677 ( 1.010 -1.809 -0.825) 2.230 7.230 ( -1.432 0.207 0.171) 1.457 7.230 ( 1.432 0.207 0.171) 1.457 7.247 ( -2.660 -1.442 -0.811) 3.132 7.247 ( 2.660 -1.442 -0.811) 3.132 7.470 ( -3.221 -3.079 1.394) 4.668 7.470 ( 3.221 -3.079 1.394) 4.668 7.889 ( -1.468 -7.219 -2.313) 7.721 7.889 ( 1.468 -7.219 -2.313) 7.721 8.264 ( -1.695 -1.006 0.437) 2.019 8.264 ( 1.695 -1.006 0.437) 2.019 8.523 ( -0.573 -7.638 0.400) 7.670 8.523 ( 0.573 -7.638 0.400) 7.670 8.618 ( -1.382 -3.377 -0.997) 3.782 8.618 ( 1.382 -3.377 -0.997) 3.782 8.957 ( -1.781 -0.998 1.667) 2.636 8.957 ( 1.781 -0.998 1.667) 2.636 9.064 ( -1.421 -1.612 -0.164) 2.155 9.064 ( 1.421 -1.612 -0.164) 2.155 9.225 ( -3.671 -2.575 -0.255) 4.491 9.225 ( 3.671 -2.575 -0.255) 4.491 9.553 ( -2.023 -7.238 3.868) 8.452 9.553 ( 2.023 -7.238 3.868) 8.452 9.860 ( -5.190 3.517 -3.406) 7.135 9.860 ( 5.190 3.517 -3.406) 7.135 10.324 ( -3.623 -1.221 -1.548) 4.125 10.324 ( 3.623 -1.221 -1.548) 4.125 10.619 ( -0.681 7.436 -0.028) 7.467 10.619 ( 0.681 7.436 -0.028) 7.467 11.003 ( -5.357 -3.306 3.005) 6.975 11.003 ( 5.357 -3.306 3.005) 6.975 11.124 ( -8.692 -1.998 -1.981) 9.136 11.124 ( 8.692 -1.998 -1.981) 9.136 12.591 ( -0.045 -3.011 0.012) 3.012 12.591 ( 0.045 -3.011 0.012) 3.012 12.774 ( -0.028 -6.541 0.130) 6.542 12.774 ( 0.028 -6.541 0.130) 6.542 ======================= Grid point 162 (56/80) ======================= q-point: ( 0.00 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 20.982 10.162) 23.313 1.658 ( 0.000 26.015 6.660) 26.854 1.756 ( 0.000 15.420 -13.056) 20.205 1.844 ( 0.000 22.059 -9.435) 23.992 2.651 ( 0.000 16.043 9.351) 18.569 2.734 ( 0.000 6.368 3.487) 7.260 2.974 ( 0.000 39.260 9.315) 40.350 3.132 ( 0.000 8.339 -1.781) 8.527 3.148 ( 0.000 9.547 -3.354) 10.119 3.264 ( 0.000 29.736 -12.496) 32.255 3.365 ( 0.000 11.704 3.952) 12.353 3.419 ( 0.000 12.584 -4.434) 13.342 3.790 ( 0.000 12.896 1.073) 12.941 3.892 ( 0.000 13.546 -4.335) 14.223 4.010 ( 0.000 17.720 6.366) 18.829 4.107 ( 0.000 8.677 1.441) 8.796 4.296 ( 0.000 13.035 -3.559) 13.513 4.418 ( 0.000 3.646 -8.263) 9.032 4.548 ( 0.000 5.332 8.764) 10.259 4.703 ( 0.000 13.816 -4.583) 14.556 4.889 ( 0.000 -3.534 11.761) 12.280 5.097 ( 0.000 -7.421 -6.998) 10.200 5.419 ( 0.000 -6.088 -0.502) 6.109 5.427 ( 0.000 -7.786 -1.321) 7.897 5.474 ( 0.000 -2.831 1.103) 3.038 5.496 ( 0.000 -4.709 -0.894) 4.793 5.825 ( 0.000 -9.258 3.691) 9.967 5.874 ( 0.000 -12.775 2.696) 13.057 5.900 ( 0.000 -9.315 0.340) 9.322 6.001 ( 0.000 -7.436 -4.757) 8.828 6.070 ( 0.000 -6.750 0.464) 6.766 6.085 ( 0.000 -6.792 -0.679) 6.825 6.693 ( 0.000 -9.638 0.413) 9.647 6.698 ( 0.000 -8.815 -0.043) 8.815 6.706 ( 0.000 -13.707 3.275) 14.092 6.784 ( 0.000 -12.937 -3.122) 13.309 6.943 ( 0.000 -3.787 0.307) 3.800 6.994 ( 0.000 -3.091 -4.435) 5.406 7.422 ( 0.000 7.977 1.195) 8.066 7.424 ( 0.000 8.469 1.019) 8.530 7.568 ( 0.000 -4.275 0.237) 4.281 7.577 ( 0.000 -3.032 -0.501) 3.073 7.766 ( 0.000 10.227 13.367) 16.831 7.786 ( 0.000 4.765 1.803) 5.095 7.821 ( 0.000 3.670 -1.140) 3.843 8.021 ( 0.000 -2.866 -5.505) 6.207 8.303 ( 0.000 -9.648 -1.323) 9.738 8.345 ( 0.000 -10.322 -4.109) 11.110 8.443 ( 0.000 -6.047 0.669) 6.084 8.502 ( 0.000 -2.799 -6.711) 7.271 8.714 ( 0.000 -5.198 1.942) 5.549 8.738 ( 0.000 -5.347 0.509) 5.371 8.745 ( 0.000 -4.073 4.290) 5.916 8.908 ( 0.000 -0.495 -11.929) 11.939 9.438 ( 0.000 6.934 1.009) 7.007 9.471 ( 0.000 4.756 -1.818) 5.092 9.554 ( 0.000 5.282 -0.296) 5.290 9.566 ( 0.000 3.725 -1.230) 3.923 10.009 ( 0.000 -7.717 15.691) 17.486 10.022 ( 0.000 1.592 5.139) 5.380 10.167 ( 0.000 0.557 -1.921) 2.000 10.323 ( 0.000 -2.263 -8.011) 8.325 10.490 ( 0.000 4.130 1.196) 4.300 10.515 ( 0.000 5.012 -1.165) 5.145 10.772 ( 0.000 -2.309 5.493) 5.959 10.911 ( 0.000 -4.652 -6.433) 7.939 11.491 ( 0.000 -21.681 1.765) 21.752 11.526 ( 0.000 -17.787 -1.235) 17.830 12.467 ( 0.000 -0.078 1.129) 1.131 12.496 ( 0.000 -0.006 -1.406) 1.406 12.623 ( 0.000 -2.859 1.309) 3.145 12.645 ( 0.000 -2.983 -0.612) 3.045 ======================= Grid point 163 (57/80) ======================= q-point: ( 0.12 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 6.966 20.803 8.821) 23.646 1.711 ( 5.617 22.701 6.835) 24.364 1.794 ( 3.815 17.979 -11.157) 21.501 1.902 ( 5.897 17.937 -9.272) 21.036 2.651 ( 0.106 14.756 7.816) 16.698 2.744 ( 0.532 6.636 2.841) 7.238 2.986 ( 0.648 26.826 2.304) 26.933 3.100 ( -2.943 12.075 -4.419) 13.190 3.203 ( 5.765 17.750 5.415) 19.432 3.315 ( -2.975 13.739 2.930) 14.360 3.380 ( 6.092 18.830 -2.359) 19.931 3.426 ( 3.190 16.711 -9.799) 19.633 3.740 ( -3.571 14.832 -0.442) 15.262 3.830 ( -5.079 15.431 -7.281) 17.802 3.948 ( -6.365 13.775 6.430) 16.480 4.063 ( -5.549 10.714 -1.960) 12.224 4.307 ( 0.145 14.409 3.050) 14.729 4.382 ( -2.655 6.144 2.810) 7.259 4.562 ( -0.826 2.844 0.172) 2.967 4.675 ( -2.229 8.127 -5.361) 9.988 4.860 ( -1.524 -2.119 6.851) 7.332 5.010 ( -8.308 -2.308 -6.435) 10.760 5.295 ( -6.511 -5.976 1.658) 8.992 5.326 ( -2.537 -5.806 -1.057) 6.424 5.490 ( -2.714 -7.064 5.132) 9.143 5.607 ( 2.190 -5.160 -4.844) 7.408 5.814 ( 0.321 -6.659 2.656) 7.177 5.858 ( -3.432 -8.906 -1.009) 9.597 5.890 ( 1.234 -10.383 4.173) 11.258 5.998 ( 0.529 -7.841 -4.719) 9.167 6.123 ( 4.662 -6.576 1.184) 8.148 6.143 ( 4.785 -7.347 -0.658) 8.793 6.641 ( -2.627 -9.374 0.182) 9.737 6.646 ( -2.044 -9.092 -0.088) 9.319 6.733 ( -1.001 -8.240 2.349) 8.627 6.791 ( -2.178 -6.354 -2.590) 7.199 6.985 ( 4.295 -5.834 0.812) 7.290 7.032 ( 3.106 -4.873 -3.288) 6.649 7.284 ( -8.019 1.886 1.108) 8.312 7.307 ( -7.738 4.586 -0.870) 9.037 7.559 ( -1.395 1.864 2.431) 3.366 7.605 ( 0.508 -1.028 -0.840) 1.422 7.751 ( -2.876 4.077 3.062) 5.854 7.792 ( -0.882 0.447 1.533) 1.824 7.851 ( 5.420 5.229 5.955) 9.601 8.036 ( 1.791 -2.214 -5.977) 6.621 8.290 ( 0.517 -8.627 0.502) 8.657 8.342 ( -0.530 -6.883 -4.044) 8.000 8.554 ( 8.475 -7.459 0.437) 11.298 8.596 ( 6.973 -5.666 -3.830) 9.767 8.745 ( 1.380 -1.744 1.752) 2.831 8.780 ( 1.599 -2.681 -0.841) 3.233 8.808 ( 6.742 -5.268 4.457) 9.647 8.956 ( 5.086 -1.223 -9.896) 11.193 9.363 ( -6.289 5.084 1.581) 8.240 9.412 ( -5.533 4.617 -2.809) 7.735 9.548 ( -0.273 3.608 0.852) 3.718 9.574 ( 0.037 4.412 -1.720) 4.736 9.893 ( -5.689 -2.364 14.399) 15.662 10.091 ( 0.113 -1.530 -1.950) 2.482 10.196 ( 3.378 -0.980 2.570) 4.356 10.345 ( 1.662 -2.355 -7.387) 7.930 10.501 ( 1.844 2.857 1.813) 3.854 10.536 ( 2.489 3.706 -1.472) 4.700 10.766 ( -0.734 -2.497 5.586) 6.162 10.903 ( -0.897 -4.013 -6.485) 7.679 11.410 ( -7.016 -18.014 4.160) 19.775 11.488 ( -4.029 -17.465 -2.682) 18.123 12.476 ( 0.921 -0.666 0.775) 1.376 12.498 ( 0.361 -0.263 -1.142) 1.226 12.629 ( 0.507 -3.232 1.287) 3.515 12.651 ( 0.443 -3.311 -0.624) 3.398 ======================= Grid point 164 (58/80) ======================= q-point: ( 0.25 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 11.223 19.597 5.654) 23.281 1.885 ( 10.034 17.658 1.789) 20.389 1.931 ( 10.912 16.752 -2.945) 20.209 2.077 ( 10.757 12.839 -6.721) 18.048 2.657 ( 0.267 11.443 4.357) 12.247 2.735 ( -1.731 8.670 -0.229) 8.844 2.999 ( 0.766 16.389 0.591) 16.417 3.043 ( -2.319 10.638 -2.252) 11.118 3.203 ( -4.473 15.138 3.802) 16.237 3.269 ( -2.816 14.312 0.401) 14.592 3.510 ( 6.857 17.799 1.969) 19.175 3.568 ( 3.258 13.975 -1.981) 14.486 3.700 ( -0.474 16.480 -1.746) 16.579 3.744 ( -5.729 11.004 -2.311) 12.619 3.792 ( -0.503 18.986 -1.801) 19.078 3.861 ( -11.914 10.250 -4.499) 16.348 4.212 ( -8.021 17.307 8.285) 20.797 4.339 ( -6.955 15.215 -2.423) 16.904 4.485 ( -3.287 -1.514 6.636) 7.559 4.622 ( -3.026 0.592 -4.258) 5.257 4.853 ( -4.333 3.477 -2.235) 5.988 4.869 ( 0.979 -1.603 -4.598) 4.967 5.208 ( -1.693 -3.739 5.926) 7.208 5.312 ( -0.155 -3.084 -2.981) 4.292 5.394 ( -4.631 -8.639 6.074) 11.531 5.551 ( -6.183 -7.323 -7.121) 11.940 5.764 ( -5.556 -4.734 2.803) 7.819 5.797 ( -3.120 -2.442 -0.093) 3.963 5.956 ( 5.310 -8.663 4.016) 10.926 6.060 ( 4.782 -6.825 -4.755) 9.595 6.207 ( 3.159 -6.444 2.672) 7.658 6.252 ( 4.850 -8.111 -1.371) 9.549 6.597 ( -2.030 -5.232 0.451) 5.630 6.627 ( -0.417 -4.402 -1.845) 4.791 6.676 ( -3.565 -4.501 1.769) 6.008 6.706 ( -3.982 -1.524 -0.750) 4.329 7.062 ( 0.726 -5.796 0.066) 5.841 7.074 ( 2.158 -6.232 -0.790) 6.642 7.209 ( 0.975 -3.163 0.831) 3.412 7.240 ( 1.533 0.114 -1.691) 2.285 7.499 ( -4.395 4.089 2.940) 6.684 7.580 ( -3.219 1.171 -3.356) 4.796 7.698 ( -1.518 -3.607 4.910) 6.279 7.774 ( -0.738 -6.077 -1.883) 6.404 7.992 ( 8.176 3.248 4.314) 9.799 8.103 ( 4.887 -1.154 -4.792) 6.941 8.318 ( 1.824 -7.640 0.808) 7.897 8.347 ( 0.877 -5.612 -1.916) 5.995 8.700 ( 3.859 -4.226 0.043) 5.723 8.731 ( 5.254 -3.874 -2.130) 6.866 8.773 ( -0.269 -2.132 0.230) 2.161 8.780 ( 1.643 -1.255 -0.963) 2.281 8.935 ( 4.496 -3.694 5.963) 8.332 9.058 ( 2.633 -2.959 -5.654) 6.903 9.220 ( -6.750 1.976 2.729) 7.544 9.306 ( -3.292 2.268 -4.568) 6.070 9.519 ( -2.643 2.517 2.269) 4.298 9.565 ( -0.584 3.804 -2.483) 4.580 9.805 ( -2.764 -1.069 13.359) 13.684 10.050 ( -3.032 -1.010 -7.335) 8.001 10.252 ( 1.503 -0.772 2.770) 3.245 10.366 ( -0.130 -3.092 -7.068) 7.716 10.581 ( 5.256 -0.198 2.183) 5.695 10.623 ( 5.551 1.164 -1.535) 5.876 10.748 ( -0.250 -2.642 5.413) 6.029 10.874 ( -1.683 -3.522 -6.325) 7.432 11.245 ( -8.379 -12.297 7.261) 16.558 11.371 ( -7.184 -13.846 -4.130) 16.136 12.502 ( 1.515 -1.440 0.315) 2.114 12.513 ( 1.093 -0.868 -0.665) 1.546 12.640 ( 0.465 -4.220 1.020) 4.366 12.658 ( 0.110 -4.109 -0.502) 4.141 ======================= Grid point 165 (59/80) ======================= q-point: ( 0.38 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 12.507 16.074 3.383) 20.646 2.090 ( 9.992 16.663 -3.116) 19.677 2.211 ( 14.004 11.153 2.974) 18.148 2.299 ( 9.150 11.259 -2.561) 14.733 2.619 ( -3.804 6.271 3.782) 8.252 2.710 ( 0.346 10.183 -4.446) 11.117 3.000 ( -2.173 12.022 2.287) 12.429 3.027 ( 1.480 10.692 -0.483) 10.805 3.109 ( -4.505 17.773 2.620) 18.521 3.202 ( -2.539 15.929 -3.787) 16.568 3.372 ( -12.839 6.937 2.859) 14.871 3.466 ( -17.535 5.694 -5.078) 19.123 3.618 ( 3.868 9.487 2.112) 10.461 3.691 ( 2.350 14.641 -3.947) 15.345 3.933 ( 9.911 16.122 3.020) 19.164 3.945 ( 5.173 18.189 1.251) 18.952 4.026 ( -6.969 18.352 2.158) 19.749 4.113 ( -9.851 9.460 -4.584) 14.407 4.430 ( -3.349 8.301 6.410) 11.010 4.547 ( -4.927 2.806 -3.858) 6.858 4.831 ( 1.576 4.743 0.443) 5.018 4.885 ( 0.065 3.806 -4.536) 5.922 5.214 ( 1.279 -4.478 6.369) 7.891 5.280 ( -1.847 -6.506 2.775) 7.311 5.378 ( 2.003 -4.062 -3.579) 5.772 5.421 ( -4.959 -7.479 -5.098) 10.321 5.643 ( -5.536 -2.907 3.880) 7.359 5.704 ( -5.407 -1.226 -1.672) 5.791 6.074 ( 5.245 -3.962 3.280) 7.346 6.138 ( 2.145 -0.734 -1.935) 2.981 6.258 ( 2.375 -9.149 1.993) 9.660 6.315 ( 1.223 -9.907 -2.740) 10.352 6.555 ( -1.517 -1.185 1.413) 2.388 6.589 ( -2.840 -0.695 -0.349) 2.944 6.644 ( 0.445 -3.923 0.135) 3.951 6.671 ( -0.654 -4.187 -1.192) 4.402 7.092 ( 3.338 -5.015 1.086) 6.122 7.124 ( 3.110 -5.561 -1.610) 6.572 7.257 ( 1.772 -1.089 0.726) 2.203 7.290 ( 2.204 -0.216 -1.518) 2.685 7.396 ( -4.925 1.258 3.789) 6.340 7.488 ( -5.206 -0.796 -2.921) 6.023 7.693 ( 0.813 -8.851 2.643) 9.273 7.754 ( -1.357 -9.388 -2.320) 9.766 8.173 ( 9.049 3.370 2.074) 9.876 8.227 ( 6.638 0.960 -2.620) 7.201 8.356 ( 1.962 -6.105 0.568) 6.438 8.368 ( 1.054 -5.318 -0.590) 5.454 8.649 ( -6.479 -0.544 0.663) 6.535 8.678 ( -7.084 -1.548 -1.613) 7.428 8.852 ( 4.833 -1.869 0.487) 5.204 8.869 ( 5.101 -3.596 -0.597) 6.270 8.999 ( 1.787 -4.303 3.858) 6.050 9.067 ( 0.960 -3.873 -3.423) 5.258 9.105 ( -4.947 -1.264 4.747) 6.972 9.260 ( -3.582 -0.869 -7.401) 8.268 9.475 ( -0.383 2.006 5.180) 5.568 9.563 ( -0.528 2.950 -0.828) 3.109 9.785 ( 1.668 -1.523 7.765) 8.086 9.982 ( -3.899 -1.336 -7.310) 8.392 10.273 ( 0.986 -0.420 1.297) 1.682 10.338 ( -2.138 -3.170 -4.613) 5.992 10.654 ( 1.498 -1.558 2.085) 3.003 10.701 ( 0.667 -0.159 -2.072) 2.183 10.810 ( 6.282 -3.227 2.704) 7.562 10.871 ( 2.705 -4.589 -2.771) 6.005 11.095 ( -6.009 -7.135 6.238) 11.222 11.209 ( -8.453 -9.275 -3.862) 13.130 12.533 ( 1.317 -1.547 0.138) 2.036 12.538 ( 1.073 -1.247 -0.283) 1.670 12.646 ( 0.149 -5.308 0.526) 5.336 12.655 ( -0.305 -5.098 -0.236) 5.113 ======================= Grid point 166 (60/80) ======================= q-point: (-0.50 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -3.580 13.670 1.018) 14.168 2.199 ( 3.580 13.670 1.018) 14.168 2.360 ( -1.820 13.341 -1.406) 13.538 2.360 ( 1.820 13.341 -1.406) 13.538 2.668 ( -7.823 4.439 4.214) 9.932 2.668 ( 7.823 4.439 4.214) 9.932 2.985 ( -5.170 13.250 -3.317) 14.605 2.985 ( 5.170 13.250 -3.317) 14.605 3.134 ( -7.666 12.224 -0.261) 14.431 3.134 ( 7.666 12.224 -0.261) 14.431 3.228 ( -3.027 10.427 -1.696) 10.989 3.228 ( 3.027 10.427 -1.696) 10.989 3.733 ( -3.539 11.401 0.893) 11.971 3.733 ( 3.539 11.401 0.893) 11.971 3.860 ( -2.758 13.697 -0.188) 13.973 3.860 ( 2.758 13.697 -0.188) 13.973 4.113 ( -3.583 9.331 1.666) 10.133 4.113 ( 3.583 9.331 1.666) 10.133 4.425 ( -5.133 13.025 -0.551) 14.010 4.425 ( 5.133 13.025 -0.551) 14.010 4.871 ( -1.540 5.502 -1.310) 5.862 4.871 ( 1.540 5.502 -1.310) 5.862 5.243 ( -2.076 -6.702 2.474) 7.440 5.243 ( 2.076 -6.702 2.474) 7.440 5.395 ( -1.632 -6.092 -1.513) 6.486 5.395 ( 1.632 -6.092 -1.513) 6.486 5.606 ( -2.918 -0.510 -0.213) 2.970 5.606 ( 2.918 -0.510 -0.213) 2.970 6.143 ( -1.513 1.047 1.228) 2.211 6.143 ( 1.513 1.047 1.228) 2.211 6.306 ( -1.866 -11.656 -1.027) 11.849 6.306 ( 1.866 -11.656 -1.027) 11.849 6.549 ( -0.945 -1.023 1.235) 1.861 6.549 ( 0.945 -1.023 1.235) 1.861 6.657 ( -0.732 -3.710 -1.247) 3.982 6.657 ( 0.732 -3.710 -1.247) 3.982 7.166 ( -1.392 -4.931 0.240) 5.130 7.166 ( 1.392 -4.931 0.240) 5.130 7.270 ( -1.490 3.606 -0.623) 3.952 7.270 ( 1.490 3.606 -0.623) 3.952 7.391 ( -3.731 -4.744 1.081) 6.131 7.391 ( 3.731 -4.744 1.081) 6.131 7.721 ( -1.703 -9.908 -0.932) 10.097 7.721 ( 1.703 -9.908 -0.932) 10.097 8.302 ( -1.391 4.969 -0.149) 5.163 8.302 ( 1.391 4.969 -0.149) 5.163 8.394 ( -0.671 -5.412 0.778) 5.509 8.394 ( 0.671 -5.412 0.778) 5.509 8.550 ( -1.481 -3.740 -0.829) 4.107 8.550 ( 1.481 -3.740 -0.829) 4.107 8.927 ( -1.353 -2.166 0.965) 2.730 8.927 ( 1.353 -2.166 0.965) 2.730 9.018 ( -2.240 -2.970 2.442) 4.450 9.018 ( 2.240 -2.970 2.442) 4.450 9.150 ( -5.949 -3.280 -5.570) 8.785 9.150 ( 5.949 -3.280 -5.570) 8.785 9.514 ( -3.354 1.845 6.518) 7.559 9.514 ( 3.354 1.845 6.518) 7.559 9.878 ( -6.038 -1.750 -3.801) 7.346 9.878 ( 6.038 -1.750 -3.801) 7.346 10.299 ( -1.582 -1.376 -0.657) 2.197 10.299 ( 1.582 -1.376 -0.657) 2.197 10.680 ( -1.525 -1.334 -0.514) 2.091 10.680 ( 1.525 -1.334 -0.514) 2.091 10.921 ( -2.533 -5.106 2.252) 6.128 10.921 ( 2.533 -5.106 2.252) 6.128 11.052 ( -4.957 -5.420 -1.161) 7.436 11.052 ( 4.957 -5.420 -1.161) 7.436 12.549 ( -0.124 -1.288 -0.005) 1.294 12.549 ( 0.124 -1.288 -0.005) 1.294 12.649 ( -0.211 -5.772 0.077) 5.776 12.649 ( 0.211 -5.772 0.077) 5.776 ======================= Grid point 171 (61/80) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 0.000 22.259 6.630) 23.225 2.087 ( 0.000 18.117 -8.374) 19.959 2.167 ( 0.000 25.880 4.201) 26.219 2.289 ( 0.000 23.012 -6.480) 23.907 2.836 ( 0.000 5.266 6.860) 8.648 2.897 ( 0.000 10.823 2.640) 11.140 3.268 ( 0.000 6.073 -1.133) 6.178 3.299 ( 0.000 6.918 -2.622) 7.398 3.572 ( 0.000 9.663 4.161) 10.521 3.599 ( 0.000 7.344 1.254) 7.450 3.718 ( 0.000 34.463 4.126) 34.710 3.863 ( 0.000 26.052 -9.311) 27.666 3.951 ( 0.000 2.536 -2.858) 3.821 4.044 ( 0.000 1.435 -10.159) 10.260 4.237 ( 0.000 5.907 3.386) 6.808 4.246 ( 0.000 7.006 2.318) 7.379 4.547 ( 0.000 16.624 2.976) 16.888 4.609 ( 0.000 15.917 -2.988) 16.195 4.636 ( 0.000 -2.866 9.894) 10.300 4.850 ( 0.000 -7.122 -8.315) 10.948 5.003 ( 0.000 15.912 7.133) 17.438 5.115 ( 0.000 14.784 -2.540) 15.001 5.270 ( 0.000 -7.838 0.722) 7.872 5.298 ( 0.000 -5.769 -1.709) 6.017 5.394 ( 0.000 -5.283 0.597) 5.317 5.413 ( 0.000 -3.730 -1.113) 3.893 5.614 ( 0.000 -13.064 0.085) 13.065 5.628 ( 0.000 -10.075 -1.031) 10.128 5.771 ( 0.000 -4.383 6.625) 7.944 5.893 ( 0.000 -5.484 -2.407) 5.988 5.940 ( 0.000 -7.901 -0.434) 7.913 5.948 ( 0.000 -4.451 -2.837) 5.279 6.430 ( 0.000 -13.914 3.806) 14.425 6.504 ( 0.000 -9.404 1.327) 9.497 6.508 ( 0.000 -12.535 -2.708) 12.825 6.530 ( 0.000 -10.232 -1.037) 10.284 6.808 ( 0.000 -8.713 2.335) 9.020 6.886 ( 0.000 -6.303 -4.297) 7.628 7.498 ( 0.000 -0.243 0.426) 0.490 7.512 ( 0.000 0.568 -0.676) 0.883 7.550 ( 0.000 1.557 2.383) 2.846 7.575 ( 0.000 1.764 0.112) 1.767 7.887 ( 0.000 1.226 2.499) 2.783 7.899 ( 0.000 5.838 0.104) 5.839 7.917 ( 0.000 5.261 0.434) 5.279 7.928 ( 0.000 -5.199 0.581) 5.231 8.168 ( 0.000 -3.903 -0.223) 3.909 8.188 ( 0.000 -3.766 -3.159) 4.916 8.344 ( 0.000 -3.976 1.655) 4.307 8.416 ( 0.000 -4.405 -5.705) 7.208 8.632 ( 0.000 -2.047 4.916) 5.325 8.707 ( 0.000 1.105 -1.286) 1.696 8.724 ( 0.000 0.890 4.904) 4.984 8.915 ( 0.000 0.812 -13.169) 13.194 9.544 ( 0.000 2.934 1.164) 3.156 9.550 ( 0.000 4.736 -0.112) 4.738 9.647 ( 0.000 4.296 0.413) 4.315 9.664 ( 0.000 5.361 -0.369) 5.374 9.823 ( 0.000 -10.500 15.799) 18.970 10.009 ( 0.000 -3.379 1.058) 3.541 10.151 ( 0.000 -1.919 -1.718) 2.576 10.232 ( 0.000 -6.503 -10.455) 12.313 10.532 ( 0.000 -0.016 2.518) 2.518 10.580 ( 0.000 1.734 -2.112) 2.733 10.737 ( 0.000 -1.280 2.973) 3.237 10.808 ( 0.000 -4.713 -3.582) 5.919 11.098 ( 0.000 -18.169 4.164) 18.640 11.173 ( 0.000 -18.163 -2.513) 18.336 12.456 ( 0.000 -1.165 1.166) 1.648 12.490 ( 0.000 -1.074 -1.975) 2.248 12.572 ( 0.000 -2.183 1.249) 2.516 12.588 ( 0.000 -2.812 -0.308) 2.829 ======================= Grid point 172 (62/80) ======================= q-point: ( 0.12 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 5.754 21.119 6.503) 22.834 2.141 ( 5.171 17.661 -7.905) 20.029 2.175 ( 1.261 24.358 4.355) 24.776 2.299 ( 1.331 21.761 -6.489) 22.747 2.830 ( -0.597 5.827 6.843) 9.007 2.911 ( 1.087 10.162 0.880) 10.258 3.248 ( -1.708 6.744 -1.398) 7.096 3.268 ( -2.495 7.779 -1.722) 8.349 3.531 ( -2.835 8.675 2.191) 9.386 3.557 ( -3.588 9.885 1.080) 10.571 3.801 ( 6.285 27.560 3.108) 28.438 3.870 ( -2.962 11.734 -1.620) 12.210 3.958 ( 4.310 15.055 -3.969) 16.155 4.043 ( -3.807 3.705 -6.073) 8.068 4.139 ( -4.933 8.578 -0.284) 9.899 4.191 ( -6.808 3.664 -2.136) 8.021 4.555 ( 0.831 13.621 3.752) 14.153 4.597 ( -0.576 14.709 5.689) 15.781 4.666 ( 0.937 3.405 0.616) 3.585 4.798 ( -2.856 -2.309 -0.695) 3.738 4.927 ( -9.876 10.904 -0.928) 14.741 5.016 ( -7.164 3.061 -4.561) 9.027 5.223 ( -1.863 -0.106 1.137) 2.185 5.251 ( 0.083 -0.191 -0.852) 0.877 5.357 ( -3.750 -6.016 6.111) 9.360 5.485 ( 0.418 -7.093 -5.511) 8.992 5.626 ( 4.080 -10.350 2.844) 11.483 5.704 ( 5.074 -6.598 -2.600) 8.720 5.759 ( -1.153 -4.367 5.656) 7.238 5.874 ( -1.456 -5.211 -3.362) 6.370 5.994 ( 4.557 -7.634 -0.009) 8.890 6.002 ( 4.885 -5.378 -1.291) 7.379 6.433 ( 0.751 -11.728 1.389) 11.834 6.442 ( -1.483 -10.340 0.502) 10.458 6.555 ( 1.794 -9.599 1.742) 9.920 6.608 ( 3.771 -11.252 -2.553) 12.139 6.836 ( 2.895 -8.420 2.432) 9.229 6.910 ( 2.213 -6.118 -3.782) 7.525 7.334 ( -10.185 3.418 2.040) 10.935 7.389 ( -9.111 3.668 -2.594) 10.158 7.537 ( -2.171 -3.085 2.753) 4.670 7.587 ( -0.264 -3.134 -1.293) 3.400 7.846 ( -4.696 5.064 1.450) 7.056 7.852 ( -5.081 6.149 0.753) 8.013 7.919 ( 2.717 -0.816 1.548) 3.231 7.950 ( 2.297 -6.570 -0.567) 6.984 8.175 ( 1.782 -1.516 1.772) 2.935 8.261 ( 3.027 -1.184 -5.310) 6.226 8.441 ( 8.581 -3.679 1.574) 9.468 8.498 ( 7.565 -3.645 -4.433) 9.495 8.728 ( 6.265 -1.921 3.064) 7.234 8.743 ( 3.399 0.404 6.370) 7.231 8.762 ( 2.939 0.687 -0.491) 3.058 8.947 ( 3.444 -0.110 -11.903) 12.391 9.452 ( -7.593 4.125 1.981) 8.865 9.493 ( -6.299 3.984 -1.554) 7.614 9.621 ( -1.594 2.788 3.163) 4.507 9.670 ( -0.029 4.867 -1.734) 5.166 9.789 ( -2.467 -7.058 13.447) 15.386 10.023 ( -0.327 -5.627 -3.897) 6.853 10.163 ( 1.845 -2.369 -0.055) 3.003 10.255 ( 1.662 -6.234 -7.750) 10.084 10.519 ( -0.725 -1.022 3.081) 3.326 10.571 ( -0.319 0.173 -1.952) 1.985 10.713 ( -2.104 -3.099 3.944) 5.440 10.805 ( -0.549 -5.192 -4.561) 6.933 11.077 ( -2.099 -15.346 4.580) 16.152 11.157 ( -1.538 -16.276 -2.671) 16.565 12.460 ( 0.524 -1.123 1.088) 1.649 12.493 ( 0.261 -0.820 -1.818) 2.011 12.572 ( 0.052 -2.401 1.263) 2.713 12.590 ( 0.125 -2.876 -0.413) 2.908 ======================= Grid point 173 (63/80) ======================= q-point: ( 0.25 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 9.681 18.761 6.290) 22.028 2.237 ( 5.455 19.413 4.443) 20.648 2.291 ( 9.072 17.480 -7.030) 20.912 2.360 ( 5.102 17.387 -6.242) 19.165 2.808 ( -1.881 6.160 6.521) 9.166 2.920 ( -0.775 9.148 -2.852) 9.613 3.209 ( -1.624 7.307 -0.362) 7.494 3.225 ( -1.735 8.297 -1.438) 8.597 3.471 ( -3.321 7.553 1.343) 8.360 3.487 ( -2.656 11.625 -0.457) 11.934 3.743 ( -9.655 3.227 4.355) 11.073 3.818 ( -13.380 2.978 2.908) 14.013 3.908 ( 2.855 16.446 -1.743) 16.783 3.961 ( -9.596 11.778 -4.713) 15.906 4.097 ( 5.363 13.496 1.195) 14.572 4.188 ( 5.184 14.765 -7.035) 17.157 4.489 ( -10.666 6.827 5.828) 13.941 4.556 ( -6.249 11.401 3.254) 13.402 4.648 ( -8.961 3.761 -4.248) 10.606 4.648 ( 0.011 12.322 -1.107) 12.372 4.853 ( 5.477 0.625 3.361) 6.457 4.944 ( 0.173 5.333 -4.771) 7.158 5.202 ( -0.317 3.600 2.787) 4.564 5.254 ( -5.465 -4.737 7.473) 10.400 5.293 ( 2.687 1.461 -4.429) 5.383 5.418 ( -5.659 -5.873 -7.031) 10.768 5.692 ( -2.511 -2.304 5.573) 6.533 5.761 ( 5.210 -9.390 3.673) 11.350 5.779 ( 0.151 -0.966 -0.255) 1.011 5.900 ( 5.788 -8.796 -6.149) 12.193 6.095 ( 4.684 -7.255 0.726) 8.666 6.104 ( 4.205 -4.723 -0.288) 6.330 6.437 ( 0.746 -9.235 1.397) 9.369 6.464 ( 1.852 -10.160 -0.804) 10.358 6.563 ( -1.123 -7.982 2.769) 8.523 6.630 ( -1.541 -7.736 -2.871) 8.394 6.921 ( 4.904 -7.060 1.739) 8.770 6.963 ( 2.669 -4.279 -1.714) 5.327 7.188 ( -3.067 1.829 2.273) 4.233 7.256 ( -2.705 1.880 -3.472) 4.786 7.485 ( -2.855 -6.060 3.040) 7.357 7.562 ( -2.137 -7.038 -3.216) 8.027 7.711 ( -7.234 5.907 2.553) 9.682 7.737 ( -6.239 5.750 0.049) 8.485 8.007 ( 5.882 -4.536 0.630) 7.455 8.023 ( 4.957 -7.231 -0.723) 8.797 8.245 ( 4.667 1.585 2.028) 5.330 8.319 ( 3.119 2.130 -4.241) 5.679 8.610 ( 6.588 -3.646 0.935) 7.587 8.650 ( 5.633 -3.485 -2.916) 7.237 8.778 ( 2.085 1.077 0.369) 2.375 8.784 ( 0.361 1.888 0.318) 1.949 8.880 ( 4.687 -1.985 5.754) 7.683 9.014 ( 1.305 -1.841 -6.852) 7.214 9.268 ( -9.472 3.020 3.836) 10.656 9.354 ( -5.886 3.129 -3.478) 7.519 9.577 ( -2.659 1.859 5.452) 6.344 9.659 ( -0.697 5.004 -3.207) 5.984 9.749 ( -1.807 -3.580 9.237) 10.070 9.974 ( -3.531 -6.631 -8.396) 11.266 10.214 ( 2.236 -2.850 1.431) 3.895 10.278 ( 0.352 -5.319 -3.960) 6.641 10.527 ( 1.709 -4.866 2.981) 5.957 10.590 ( 2.252 -3.979 -2.372) 5.150 10.674 ( -0.897 -4.915 4.621) 6.806 10.778 ( -2.006 -5.977 -5.080) 8.097 11.019 ( -3.376 -10.592 5.241) 12.290 11.108 ( -3.405 -12.688 -2.917) 13.457 12.479 ( 1.269 -1.122 0.823) 1.883 12.503 ( 0.758 -0.598 -1.336) 1.648 12.572 ( -0.073 -2.623 1.053) 2.828 12.589 ( -0.288 -2.886 -0.451) 2.935 ======================= Grid point 174 (64/80) ======================= q-point: ( 0.38 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 9.365 17.291 5.677) 20.468 2.391 ( 8.781 13.750 3.469) 16.680 2.488 ( 9.940 17.714 -5.562) 21.060 2.516 ( 9.508 10.325 -5.151) 14.951 2.748 ( -3.567 7.367 5.968) 10.130 2.864 ( -4.827 6.899 -3.948) 9.299 3.154 ( -6.782 4.215 -0.364) 7.993 3.184 ( -2.557 5.672 -2.390) 6.665 3.409 ( -2.923 10.347 0.859) 10.786 3.438 ( -0.759 6.620 -0.820) 6.713 3.536 ( -9.801 9.910 1.907) 14.068 3.575 ( -6.350 10.067 -0.439) 11.910 3.842 ( -1.808 11.344 2.985) 11.869 3.948 ( 1.851 11.441 -4.803) 12.546 4.079 ( -9.463 2.495 9.114) 13.373 4.246 ( -9.995 5.049 -5.219) 12.354 4.310 ( 0.822 14.536 1.690) 14.657 4.383 ( 1.329 14.114 -4.990) 15.029 4.618 ( 0.257 6.085 1.861) 6.368 4.651 ( -0.503 8.474 -0.741) 8.521 4.958 ( 3.494 8.006 0.950) 8.787 4.997 ( 4.027 7.998 -2.398) 9.270 5.150 ( -3.625 -2.122 5.666) 7.053 5.226 ( 2.325 2.484 5.139) 6.163 5.278 ( -5.402 -4.663 -5.016) 8.722 5.358 ( 1.361 0.365 -5.974) 6.138 5.630 ( -2.417 1.380 4.411) 5.216 5.709 ( -4.017 1.497 -2.589) 5.008 5.919 ( 7.477 -10.338 4.625) 13.571 6.027 ( 5.182 -9.872 -4.939) 12.195 6.147 ( 0.436 -4.118 1.220) 4.317 6.167 ( 1.683 -3.887 -0.418) 4.256 6.456 ( 0.955 -7.823 1.745) 8.072 6.498 ( 1.425 -9.265 -1.775) 9.541 6.522 ( -2.353 -6.682 2.282) 7.442 6.576 ( -2.918 -6.485 -2.240) 7.456 7.023 ( 4.690 -2.257 0.403) 5.220 7.029 ( 4.562 -2.778 0.064) 5.342 7.196 ( 2.522 -2.476 2.315) 4.225 7.259 ( 1.733 -2.455 -2.397) 3.844 7.407 ( -5.291 -5.608 1.746) 7.905 7.473 ( -6.753 -6.723 -2.299) 9.803 7.607 ( -2.364 4.250 1.023) 4.970 7.629 ( -3.541 2.934 -0.338) 4.611 8.142 ( 6.809 -7.739 0.149) 10.309 8.150 ( 6.962 -7.582 -0.333) 10.299 8.348 ( 5.402 4.648 1.043) 7.202 8.383 ( 3.100 3.616 -1.857) 5.112 8.630 ( -5.561 -1.674 0.512) 5.830 8.647 ( -5.840 -0.045 -0.672) 5.879 8.833 ( 4.195 0.398 -0.008) 4.214 8.836 ( 3.801 0.693 -0.434) 3.888 8.935 ( 1.648 -1.999 2.988) 3.955 9.012 ( 1.073 -1.768 -3.856) 4.375 9.098 ( -7.091 0.552 5.334) 8.891 9.254 ( -5.603 0.466 -7.639) 9.485 9.537 ( -0.455 2.987 6.969) 7.596 9.642 ( -2.612 4.156 3.582) 6.077 9.725 ( 1.853 -3.702 1.715) 4.481 9.906 ( -3.550 -5.596 -7.867) 10.286 10.248 ( 1.273 -2.174 0.551) 2.579 10.273 ( -0.465 -3.434 -1.614) 3.823 10.561 ( 1.064 -7.299 1.883) 7.612 10.621 ( -0.536 -7.581 -2.969) 8.160 10.713 ( 4.420 -6.373 2.471) 8.140 10.760 ( 1.634 -6.630 -1.435) 6.978 10.947 ( -3.486 -8.003 3.783) 9.514 11.019 ( -5.212 -9.917 -2.499) 11.478 12.509 ( 1.634 -1.072 0.446) 2.004 12.522 ( 1.051 -0.655 -0.684) 1.414 12.567 ( -0.461 -2.687 0.583) 2.788 12.577 ( -0.889 -2.850 -0.278) 2.998 ======================= Grid point 175 (65/80) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -3.098 14.756 3.721) 15.530 2.482 ( 3.098 14.756 3.721) 15.530 2.633 ( -0.231 12.606 -3.535) 13.094 2.633 ( 0.231 12.606 -3.535) 13.094 2.749 ( -5.073 6.595 2.253) 8.620 2.749 ( 5.073 6.595 2.253) 8.620 3.064 ( -3.652 -0.275 -5.069) 6.253 3.064 ( 3.652 -0.275 -5.069) 6.253 3.412 ( -3.389 14.222 3.632) 15.064 3.412 ( 3.389 14.222 3.632) 15.064 3.488 ( -3.916 12.217 -2.831) 13.138 3.488 ( 3.916 12.217 -2.831) 13.138 3.888 ( -6.576 5.325 7.092) 11.041 3.888 ( 6.576 5.325 7.092) 11.041 4.031 ( -7.243 6.616 -5.152) 11.080 4.031 ( 7.243 6.616 -5.152) 11.080 4.388 ( -2.570 13.433 -0.089) 13.677 4.388 ( 2.570 13.433 -0.089) 13.677 4.631 ( -1.150 6.541 0.045) 6.641 4.631 ( 1.150 6.541 0.045) 6.641 5.015 ( -2.107 8.628 0.355) 8.889 5.015 ( 2.107 8.628 0.355) 8.889 5.155 ( -4.018 -1.687 -1.742) 4.693 5.155 ( 4.018 -1.687 -1.742) 4.693 5.328 ( -4.463 0.243 2.142) 4.956 5.328 ( 4.463 0.243 2.142) 4.956 5.633 ( -2.759 3.253 -1.112) 4.408 5.633 ( 2.759 3.253 -1.112) 4.408 6.044 ( -3.980 -11.467 1.374) 12.215 6.044 ( 3.980 -11.467 1.374) 12.215 6.163 ( -1.606 -1.972 -1.195) 2.810 6.163 ( 1.606 -1.972 -1.195) 2.810 6.480 ( -1.573 -6.395 1.956) 6.870 6.480 ( 1.573 -6.395 1.956) 6.870 6.529 ( -1.725 -8.212 -2.065) 8.641 6.529 ( 1.725 -8.212 -2.065) 8.641 7.092 ( -0.646 -1.710 0.037) 1.828 7.092 ( 0.646 -1.710 0.037) 1.828 7.265 ( -3.965 -4.829 2.964) 6.916 7.265 ( 3.965 -4.829 2.964) 6.916 7.344 ( -3.883 -3.083 -2.543) 5.572 7.344 ( 3.883 -3.083 -2.543) 5.572 7.593 ( -0.552 1.021 -0.303) 1.199 7.593 ( 0.552 1.021 -0.303) 1.199 8.235 ( -0.444 -8.164 0.073) 8.176 8.235 ( 0.444 -8.164 0.073) 8.176 8.464 ( -2.740 -4.559 -0.321) 5.329 8.464 ( 2.740 -4.559 -0.321) 5.329 8.496 ( -3.509 10.454 0.279) 11.031 8.496 ( 3.509 10.454 0.279) 11.031 8.889 ( -0.061 -0.889 -0.140) 0.902 8.889 ( 0.061 -0.889 -0.140) 0.902 8.977 ( -3.988 -1.058 4.439) 6.061 8.977 ( 3.988 -1.058 4.439) 6.061 9.110 ( -7.296 -1.193 -7.529) 10.552 9.110 ( 7.296 -1.193 -7.529) 10.552 9.570 ( -3.277 2.701 9.437) 10.349 9.570 ( 3.277 2.701 9.437) 10.349 9.814 ( -5.298 -3.723 -6.207) 8.970 9.814 ( 5.298 -3.723 -6.207) 8.970 10.266 ( -0.474 -2.099 -0.082) 2.154 10.266 ( 0.474 -2.099 -0.082) 2.154 10.586 ( -1.776 -7.588 -1.096) 7.869 10.586 ( 1.776 -7.588 -1.096) 7.869 10.794 ( -1.758 -8.032 2.013) 8.465 10.794 ( 1.758 -8.032 2.013) 8.465 10.920 ( -2.928 -7.815 -0.739) 8.378 10.920 ( 2.928 -7.815 -0.739) 8.378 12.535 ( -0.363 -0.330 0.008) 0.491 12.535 ( 0.363 -0.330 0.008) 0.491 12.560 ( -0.257 -3.308 0.023) 3.318 12.560 ( 0.257 -3.308 0.023) 3.318 ======================= Grid point 180 (66/80) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 0.000 22.334 3.893) 22.670 2.444 ( 0.000 17.895 -3.996) 18.336 2.658 ( 0.000 24.057 1.825) 24.126 2.717 ( 0.000 19.576 -3.469) 19.881 2.952 ( 0.000 7.069 7.996) 10.672 3.099 ( 0.000 9.868 -3.914) 10.616 3.376 ( 0.000 5.175 0.509) 5.200 3.422 ( 0.000 5.774 -2.400) 6.253 3.690 ( 0.000 1.833 4.013) 4.412 3.735 ( 0.000 6.815 2.198) 7.160 3.918 ( 0.000 -4.128 -5.468) 6.851 3.957 ( 0.000 -5.127 -6.803) 8.519 4.167 ( 0.000 0.855 2.948) 3.069 4.232 ( 0.000 7.586 -2.165) 7.888 4.391 ( 0.000 17.041 3.908) 17.483 4.476 ( 0.000 15.359 -2.584) 15.575 4.521 ( 0.000 -2.668 6.500) 7.027 4.650 ( 0.000 -10.822 -3.889) 11.500 4.933 ( 0.000 19.206 1.305) 19.250 4.945 ( 0.000 16.167 -0.029) 16.167 5.110 ( 0.000 -6.469 1.432) 6.626 5.153 ( 0.000 -4.346 -2.566) 5.047 5.301 ( 0.000 -4.243 1.127) 4.390 5.320 ( 0.000 5.343 2.108) 5.744 5.354 ( 0.000 1.866 -1.143) 2.188 5.356 ( 0.000 1.076 -0.772) 1.324 5.393 ( 0.000 -7.117 1.623) 7.300 5.526 ( 0.000 4.105 -6.123) 7.372 5.706 ( 0.000 -2.876 7.473) 8.007 5.749 ( 0.000 -8.661 0.408) 8.670 5.778 ( 0.000 -8.646 0.805) 8.683 5.887 ( 0.000 -3.448 -5.889) 6.824 6.194 ( 0.000 -9.437 3.453) 10.049 6.267 ( 0.000 -10.482 -2.854) 10.864 6.324 ( 0.000 -9.094 1.672) 9.246 6.356 ( 0.000 -8.440 -1.064) 8.507 6.691 ( 0.000 -1.281 4.914) 5.078 6.814 ( 0.000 -0.108 -5.547) 5.548 7.470 ( 0.000 -5.013 0.715) 5.064 7.482 ( 0.000 -5.660 -0.161) 5.662 7.544 ( 0.000 0.317 2.246) 2.268 7.580 ( 0.000 0.489 -0.745) 0.891 7.814 ( 0.000 -4.464 0.255) 4.471 7.817 ( 0.000 -5.264 0.017) 5.264 8.023 ( 0.000 4.675 -0.397) 4.691 8.028 ( 0.000 4.574 -1.029) 4.688 8.135 ( 0.000 0.807 2.410) 2.541 8.187 ( 0.000 1.301 -2.744) 3.037 8.313 ( 0.000 1.128 0.363) 1.185 8.371 ( 0.000 -0.264 -4.828) 4.835 8.630 ( 0.000 1.422 7.040) 7.183 8.748 ( 0.000 2.427 -2.912) 3.791 8.775 ( 0.000 4.362 5.181) 6.773 8.936 ( 0.000 1.666 -10.063) 10.200 9.533 ( 0.000 -7.183 13.313) 15.127 9.633 ( 0.000 3.845 -0.324) 3.858 9.679 ( 0.000 -0.710 0.930) 1.170 9.711 ( 0.000 0.848 0.293) 0.897 9.754 ( 0.000 3.840 0.095) 3.841 9.871 ( 0.000 -9.137 -6.921) 11.463 10.105 ( 0.000 -2.395 -0.702) 2.496 10.127 ( 0.000 -3.265 -4.802) 5.807 10.486 ( 0.000 -5.000 6.399) 8.121 10.589 ( 0.000 -0.730 -3.521) 3.596 10.708 ( 0.000 -3.002 1.313) 3.276 10.723 ( 0.000 -5.419 -0.252) 5.424 10.821 ( 0.000 -8.253 0.533) 8.270 10.839 ( 0.000 -14.318 -1.027) 14.355 12.424 ( 0.000 -1.895 0.924) 2.108 12.450 ( 0.000 -2.615 -1.374) 2.954 12.539 ( 0.000 -2.111 0.249) 2.126 12.540 ( 0.000 -1.343 0.247) 1.366 ======================= Grid point 181 (67/80) ======================= q-point: ( 0.12 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 3.353 20.945 3.768) 21.543 2.480 ( 3.455 16.810 -4.377) 17.711 2.644 ( -0.935 23.139 2.617) 23.305 2.713 ( -0.053 19.370 -3.499) 19.684 2.944 ( -0.733 6.375 8.030) 10.279 3.102 ( -0.094 9.005 -5.011) 10.306 3.368 ( -0.820 6.276 0.277) 6.336 3.404 ( -1.499 6.037 -1.722) 6.454 3.634 ( -4.001 1.946 2.864) 5.292 3.714 ( -3.123 5.289 -2.453) 6.614 3.869 ( -2.577 -2.594 1.603) 3.992 3.974 ( -1.715 -5.055 -4.740) 7.139 4.112 ( -5.349 -0.314 5.143) 7.427 4.232 ( -1.934 -0.013 -5.557) 5.884 4.327 ( 0.089 17.934 3.197) 18.217 4.425 ( -4.011 15.286 -5.112) 16.610 4.638 ( 7.156 -0.806 3.749) 8.119 4.665 ( 1.501 -3.409 0.650) 3.781 4.866 ( -10.012 8.385 5.537) 14.185 4.953 ( -1.022 14.929 -0.554) 14.974 4.986 ( -10.742 -1.639 0.235) 10.869 5.060 ( -2.142 4.855 -4.694) 7.084 5.264 ( -1.520 -1.335 1.488) 2.511 5.282 ( -0.530 2.336 0.593) 2.468 5.337 ( 0.112 2.545 -3.488) 4.319 5.362 ( 0.794 -4.798 -4.055) 6.332 5.489 ( 4.881 -1.563 6.397) 8.197 5.622 ( 4.522 -2.028 -4.497) 6.692 5.691 ( 0.128 -2.808 6.124) 6.738 5.768 ( 1.073 -5.492 -0.113) 5.597 5.855 ( 5.705 -6.219 0.607) 8.461 5.911 ( 3.081 -4.831 -4.093) 7.042 6.224 ( 2.531 -8.777 2.652) 9.511 6.259 ( 0.150 -7.856 -0.259) 7.862 6.372 ( 1.562 -8.771 0.128) 8.910 6.388 ( 4.450 -10.237 -1.306) 11.238 6.729 ( 3.663 -1.122 4.547) 5.946 6.843 ( 2.751 -0.055 -5.124) 5.816 7.396 ( -6.884 0.492 1.121) 6.993 7.434 ( -5.649 -1.913 -2.157) 6.342 7.457 ( -5.710 -2.968 2.841) 7.035 7.499 ( -5.717 -2.421 -0.597) 6.237 7.797 ( 0.315 -7.452 0.576) 7.481 7.806 ( 0.536 -7.274 -0.171) 7.296 7.979 ( -3.927 6.207 0.133) 7.346 7.987 ( -3.638 7.019 -0.541) 7.924 8.206 ( 3.930 2.159 1.670) 4.785 8.265 ( 5.092 0.773 -3.551) 6.256 8.411 ( 8.905 0.413 1.124) 8.986 8.460 ( 7.679 -0.451 -4.147) 8.739 8.703 ( 6.020 -0.331 6.510) 8.873 8.783 ( 1.632 3.205 2.346) 4.294 8.806 ( 3.724 3.371 0.344) 5.035 8.947 ( 1.184 0.382 -9.726) 9.806 9.502 ( -4.524 -3.255 9.744) 11.225 9.564 ( -4.408 0.653 4.688) 6.468 9.587 ( -6.779 1.284 -0.902) 6.959 9.725 ( -0.557 -0.947 -2.180) 2.441 9.755 ( 0.625 3.433 0.793) 3.578 9.869 ( -1.018 -8.074 -7.097) 10.798 10.114 ( 1.223 -2.301 -0.043) 2.606 10.149 ( 1.732 -3.882 -3.403) 5.445 10.455 ( -2.848 -5.891 6.038) 8.904 10.553 ( -3.265 -2.240 -3.025) 4.983 10.633 ( -4.491 -4.986 2.290) 7.091 10.696 ( -2.005 -6.294 -3.359) 7.411 10.840 ( 1.179 -8.473 2.650) 8.956 10.884 ( 1.927 -10.278 -1.432) 10.555 12.432 ( 0.815 -1.634 0.974) 2.069 12.459 ( 0.813 -2.304 -1.366) 2.799 12.539 ( -0.039 -1.258 0.372) 1.313 12.542 ( 0.181 -2.021 0.072) 2.030 ======================= Grid point 182 (68/80) ======================= q-point: ( 0.25 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 5.758 16.946 3.185) 18.179 2.570 ( 5.007 13.353 -4.368) 14.915 2.648 ( 1.937 20.624 3.510) 21.010 2.736 ( 2.955 18.697 -3.462) 19.243 2.922 ( -1.433 5.603 7.305) 9.317 3.078 ( -2.657 6.709 -5.734) 9.217 3.349 ( -1.442 7.034 -0.139) 7.181 3.362 ( -2.986 6.010 -0.882) 6.769 3.545 ( -4.658 0.364 1.450) 4.892 3.605 ( -7.268 -0.316 -4.534) 8.572 3.827 ( -0.698 6.619 3.178) 7.376 3.859 ( -7.000 3.086 0.439) 7.663 4.020 ( -4.114 -1.310 5.822) 7.248 4.168 ( -3.044 6.186 -5.322) 8.710 4.356 ( -4.023 10.074 0.654) 10.867 4.377 ( 2.371 7.024 -2.254) 7.748 4.580 ( -9.530 1.128 0.981) 9.646 4.637 ( -15.017 -1.495 -3.254) 15.438 4.719 ( -1.124 1.678 2.789) 3.443 4.744 ( -0.161 -0.152 0.633) 0.671 5.051 ( 7.170 16.640 2.270) 18.260 5.078 ( 2.182 7.845 -0.531) 8.160 5.225 ( -2.139 2.213 2.711) 4.102 5.292 ( -0.146 3.041 -1.382) 3.344 5.333 ( -1.410 -2.102 -4.596) 5.247 5.366 ( 0.715 4.192 -3.842) 5.731 5.585 ( 4.414 -6.585 6.423) 10.203 5.661 ( 1.562 -2.126 4.482) 5.201 5.753 ( 2.499 -5.009 -4.387) 7.112 5.775 ( 2.146 -1.629 -2.069) 3.397 5.969 ( 4.984 -5.534 1.954) 7.699 6.009 ( 5.394 -5.471 -1.902) 7.915 6.273 ( 1.834 -8.056 1.006) 8.323 6.280 ( 2.028 -6.323 0.423) 6.653 6.399 ( 0.615 -7.638 2.177) 7.966 6.456 ( 1.323 -7.904 -2.527) 8.403 6.831 ( 6.117 -1.581 3.487) 7.217 6.917 ( 4.345 -0.205 -3.747) 5.741 7.261 ( -4.716 4.156 1.419) 6.444 7.309 ( -5.041 2.044 -2.710) 6.077 7.349 ( -4.872 -6.170 2.570) 8.271 7.396 ( -4.758 -7.333 -1.035) 8.802 7.845 ( 1.234 -5.529 0.516) 5.688 7.851 ( 4.570 -8.378 0.595) 9.561 7.871 ( -5.037 6.573 0.346) 8.289 7.898 ( -3.371 6.084 -1.203) 7.058 8.305 ( 5.240 2.041 1.120) 5.734 8.357 ( 3.591 0.238 -3.436) 4.976 8.574 ( 6.052 0.117 1.532) 6.244 8.616 ( 6.515 0.489 -2.706) 7.071 8.815 ( 3.821 0.580 3.132) 4.975 8.822 ( 2.363 2.582 1.902) 3.983 8.877 ( 2.945 2.881 1.580) 4.412 8.977 ( 0.976 -1.898 -6.813) 7.139 9.331 ( -10.209 2.644 5.524) 11.905 9.436 ( -7.230 4.852 -3.797) 9.499 9.529 ( -0.206 -5.397 9.313) 10.766 9.689 ( -3.144 -3.226 -3.470) 5.686 9.761 ( -0.586 3.758 0.173) 3.808 9.834 ( -1.150 -4.843 -5.339) 7.300 10.154 ( 2.286 -2.992 0.892) 3.869 10.184 ( 1.480 -3.952 -1.252) 4.402 10.397 ( -1.966 -8.251 3.211) 9.070 10.476 ( -3.513 -7.733 -3.076) 9.033 10.577 ( -0.969 -4.209 3.317) 5.446 10.656 ( -1.966 -5.817 -3.793) 7.217 10.838 ( -1.463 -7.928 3.155) 8.657 10.889 ( -1.527 -9.563 -1.548) 9.807 12.456 ( 1.446 -1.179 0.908) 2.075 12.480 ( 1.166 -1.618 -1.232) 2.344 12.538 ( -0.051 -1.151 0.511) 1.261 12.545 ( 0.050 -1.669 -0.142) 1.676 ======================= Grid point 183 (69/80) ======================= q-point: ( 0.38 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 6.180 11.307 2.673) 13.160 2.686 ( 6.073 8.243 -2.811) 10.617 2.716 ( 4.423 17.342 4.228) 18.390 2.843 ( 6.593 17.230 -4.964) 19.104 2.892 ( -0.814 6.398 4.719) 7.991 2.989 ( -5.535 5.385 -2.165) 8.020 3.219 ( -9.697 1.729 -1.865) 10.025 3.260 ( -9.867 4.237 -3.957) 11.444 3.495 ( 2.344 1.989 2.082) 3.712 3.542 ( 2.611 4.796 -1.733) 5.729 3.757 ( -4.146 10.832 2.876) 11.949 3.809 ( -4.203 10.415 -1.615) 11.347 3.945 ( -0.475 0.995 9.524) 9.587 4.117 ( -1.955 6.806 -3.799) 8.035 4.192 ( -9.533 6.726 1.624) 11.779 4.282 ( -11.128 0.906 -4.711) 12.119 4.483 ( 1.739 3.068 0.517) 3.564 4.521 ( 1.393 0.966 -3.212) 3.632 4.695 ( -1.705 1.241 2.261) 3.092 4.715 ( -2.262 -0.793 0.362) 2.424 5.109 ( 1.048 4.263 2.894) 5.258 5.182 ( 3.216 9.254 0.750) 9.825 5.195 ( -1.170 5.995 -2.113) 6.463 5.245 ( -2.423 4.209 -2.722) 5.567 5.327 ( 1.654 5.074 2.118) 5.741 5.390 ( 0.562 1.304 -3.286) 3.579 5.651 ( 2.548 -0.944 3.003) 4.049 5.714 ( 1.309 -2.048 -0.848) 2.575 5.771 ( 3.411 -3.225 3.221) 5.693 5.866 ( 3.350 -5.495 -4.425) 7.810 6.052 ( 3.199 -5.565 2.556) 6.909 6.092 ( 2.361 -4.983 -1.196) 5.642 6.314 ( 2.247 -6.986 0.229) 7.342 6.321 ( 1.858 -5.845 -0.305) 6.141 6.389 ( -1.425 -5.464 2.024) 5.999 6.435 ( -2.894 -5.833 -1.893) 6.782 6.961 ( 6.254 -2.980 2.261) 7.287 7.009 ( 4.382 -1.148 -1.702) 4.839 7.207 ( -2.060 -0.857 0.767) 2.360 7.240 ( -1.787 -1.787 -1.832) 3.122 7.266 ( -3.180 -2.837 2.181) 4.787 7.312 ( -2.956 -3.401 -1.267) 4.681 7.759 ( -3.865 8.819 0.383) 9.636 7.780 ( -4.432 8.892 -1.315) 10.022 7.967 ( 6.324 -9.359 0.639) 11.314 7.979 ( 6.279 -9.178 -0.252) 11.123 8.374 ( 0.471 -3.160 -0.066) 3.195 8.386 ( -1.037 -3.491 -1.152) 3.820 8.662 ( 3.313 5.299 2.074) 6.584 8.707 ( 2.509 5.801 -1.718) 6.549 8.872 ( 2.602 3.148 0.724) 4.148 8.880 ( 2.808 2.945 0.228) 4.075 8.916 ( 1.148 0.256 1.819) 2.166 8.985 ( 1.208 -1.240 -4.454) 4.779 9.131 ( -8.987 2.607 5.809) 11.014 9.283 ( -8.615 2.280 -7.648) 11.744 9.540 ( 1.079 -2.881 7.987) 8.560 9.618 ( -2.861 -4.385 5.040) 7.267 9.754 ( 0.645 4.157 -3.137) 5.247 9.824 ( -0.843 -1.526 -5.462) 5.734 10.195 ( 1.692 -2.985 0.485) 3.466 10.207 ( 0.860 -3.192 -0.318) 3.321 10.385 ( 0.394 -10.218 0.624) 10.245 10.430 ( -1.325 -11.035 -2.581) 11.410 10.586 ( 1.696 -6.030 2.255) 6.658 10.628 ( -0.327 -6.343 -1.236) 6.470 10.788 ( -2.919 -8.025 2.230) 8.826 10.830 ( -3.907 -9.261 -1.346) 10.141 12.488 ( 1.619 -1.011 0.580) 1.995 12.504 ( 1.071 -1.127 -0.808) 1.752 12.535 ( -0.304 -1.078 0.406) 1.191 12.541 ( -0.491 -1.062 -0.150) 1.179 ======================= Grid point 184 (70/80) ======================= q-point: (-0.50 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -3.987 7.615 3.068) 9.127 2.720 ( 3.987 7.615 3.068) 9.127 2.820 ( -6.252 10.885 0.334) 12.557 2.820 ( 6.252 10.885 0.334) 12.557 2.972 ( -6.266 10.345 -1.102) 12.144 2.972 ( 6.266 10.345 -1.102) 12.144 3.069 ( -5.138 3.476 -4.906) 7.908 3.069 ( 5.138 3.476 -4.906) 7.908 3.607 ( -4.948 3.793 2.196) 6.610 3.607 ( 4.948 3.793 2.196) 6.610 3.678 ( -4.343 8.981 0.814) 10.009 3.678 ( 4.343 8.981 0.814) 10.009 4.019 ( -6.228 8.333 4.542) 11.352 4.019 ( 6.228 8.333 4.542) 11.352 4.131 ( -3.284 4.165 -4.644) 7.050 4.131 ( 3.284 4.165 -4.644) 7.050 4.531 ( -1.479 1.118 -1.421) 2.336 4.531 ( 1.479 1.118 -1.421) 2.336 4.678 ( -0.757 -0.684 1.277) 1.634 4.678 ( 0.757 -0.684 1.277) 1.634 5.139 ( -2.456 2.595 0.588) 3.621 5.139 ( 2.456 2.595 0.588) 3.621 5.222 ( -1.338 9.188 -1.139) 9.354 5.222 ( 1.338 9.188 -1.139) 9.354 5.375 ( -1.970 1.732 0.255) 2.635 5.375 ( 1.970 1.732 0.255) 2.635 5.699 ( -1.886 1.647 -0.864) 2.649 5.699 ( 1.886 1.647 -0.864) 2.649 5.864 ( -3.515 -5.615 1.355) 6.762 5.864 ( 3.515 -5.615 1.355) 6.762 6.100 ( -1.370 -4.742 -0.167) 4.939 6.100 ( 1.370 -4.742 -0.167) 4.939 6.353 ( -1.125 -4.800 0.159) 4.932 6.353 ( 1.125 -4.800 0.159) 4.932 6.370 ( -2.591 -6.435 -0.421) 6.950 6.370 ( 2.591 -6.435 -0.421) 6.950 7.057 ( -1.641 -3.471 0.678) 3.899 7.057 ( 1.641 -3.471 0.678) 3.899 7.181 ( -1.726 -6.874 0.529) 7.107 7.181 ( 1.726 -6.874 0.529) 7.107 7.270 ( -1.720 3.218 -0.748) 3.725 7.270 ( 1.720 3.218 -0.748) 3.725 7.724 ( -0.643 8.827 -0.849) 8.891 7.724 ( 0.643 8.827 -0.849) 8.891 8.058 ( -0.543 -9.646 0.398) 9.669 8.058 ( 0.543 -9.646 0.398) 9.669 8.354 ( -0.137 -6.221 -0.335) 6.232 8.354 ( 0.137 -6.221 -0.335) 6.232 8.718 ( -1.552 10.976 0.529) 11.098 8.718 ( 1.552 10.976 0.529) 11.098 8.904 ( -0.515 2.134 -0.176) 2.203 8.904 ( 0.515 2.134 -0.176) 2.203 8.973 ( -5.393 0.680 4.073) 6.792 8.973 ( 5.393 0.680 4.073) 6.792 9.097 ( -8.377 -0.157 -6.942) 10.881 9.097 ( 8.377 -0.157 -6.942) 10.881 9.572 ( -1.945 -2.501 8.790) 9.343 9.572 ( 1.945 -2.501 8.790) 9.343 9.789 ( -2.313 1.404 -5.809) 6.408 9.789 ( 2.313 1.404 -5.809) 6.408 10.216 ( -0.230 -2.831 0.202) 2.848 10.216 ( 0.230 -2.831 0.202) 2.848 10.403 ( -1.306 -10.771 -1.523) 10.957 10.403 ( 1.306 -10.771 -1.523) 10.957 10.627 ( -1.259 -8.136 1.634) 8.394 10.627 ( 1.259 -8.136 1.634) 8.394 10.761 ( -1.538 -8.183 -0.344) 8.334 10.761 ( 1.538 -8.183 -0.344) 8.334 12.515 ( -0.651 -1.368 0.042) 1.515 12.515 ( 0.651 -1.368 0.042) 1.515 12.528 ( -0.310 -0.527 -0.030) 0.612 12.528 ( 0.310 -0.527 -0.030) 0.612 ======================= Grid point 189 (71/80) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 0.000 13.294 1.363) 13.364 2.769 ( 0.000 19.574 0.259) 19.575 2.960 ( 0.000 5.837 6.869) 9.014 3.083 ( 0.000 18.182 -3.464) 18.509 3.162 ( 0.000 12.776 1.180) 12.830 3.257 ( 0.000 5.607 -7.048) 9.006 3.458 ( 0.000 0.810 2.328) 2.465 3.521 ( 0.000 3.931 -3.049) 4.975 3.670 ( 0.000 -1.131 3.083) 3.284 3.784 ( 0.000 -5.847 -5.814) 8.245 3.858 ( 0.000 2.735 1.790) 3.269 3.877 ( 0.000 -1.807 1.754) 2.519 4.109 ( 0.000 -5.589 0.675) 5.630 4.166 ( 0.000 -8.790 -2.931) 9.266 4.401 ( 0.000 -3.973 4.559) 6.047 4.457 ( 0.000 -7.280 -0.424) 7.293 4.746 ( 0.000 12.947 1.823) 13.075 4.794 ( 0.000 10.536 -2.261) 10.776 5.019 ( 0.000 -2.825 1.005) 2.998 5.043 ( 0.000 -4.114 -1.109) 4.261 5.195 ( 0.000 7.598 1.289) 7.706 5.237 ( 0.000 3.642 -1.381) 3.895 5.243 ( 0.000 0.749 -0.196) 0.775 5.275 ( 0.000 3.089 -1.511) 3.439 5.337 ( 0.000 2.752 -2.871) 3.977 5.356 ( 0.000 1.745 -0.608) 1.848 5.509 ( 0.000 5.360 5.369) 7.587 5.554 ( 0.000 -8.813 -0.997) 8.869 5.579 ( 0.000 -8.439 -0.030) 8.439 5.643 ( 0.000 2.376 -3.977) 4.633 5.681 ( 0.000 -1.474 7.341) 7.487 5.790 ( 0.000 -6.153 -2.482) 6.635 6.079 ( 0.000 -2.390 2.060) 3.155 6.123 ( 0.000 -4.069 -1.795) 4.448 6.174 ( 0.000 -5.725 0.992) 5.810 6.204 ( 0.000 -6.962 -1.378) 7.097 6.773 ( 0.000 8.754 4.167) 9.695 6.884 ( 0.000 6.555 -5.337) 8.453 7.290 ( 0.000 -12.192 1.314) 12.263 7.304 ( 0.000 -10.339 -0.036) 10.339 7.587 ( 0.000 3.194 1.500) 3.529 7.618 ( 0.000 2.771 -1.139) 2.996 7.732 ( 0.000 -3.692 0.840) 3.786 7.744 ( 0.000 -3.118 -0.192) 3.123 8.064 ( 0.000 0.670 -0.616) 0.911 8.075 ( 0.000 0.923 -1.467) 1.733 8.194 ( 0.000 3.366 1.750) 3.794 8.218 ( 0.000 1.684 -0.415) 1.734 8.357 ( 0.000 2.470 -1.826) 3.072 8.384 ( 0.000 0.968 -3.924) 4.042 8.671 ( 0.000 2.427 6.042) 6.511 8.766 ( 0.000 -1.109 -2.297) 2.551 8.891 ( 0.000 7.279 4.598) 8.609 9.006 ( 0.000 5.284 -5.581) 7.686 9.355 ( 0.000 -8.303 10.598) 13.463 9.552 ( 0.000 -12.822 -5.642) 14.009 9.709 ( 0.000 2.854 -2.182) 3.592 9.717 ( 0.000 2.418 -2.047) 3.168 9.813 ( 0.000 2.120 0.684) 2.227 9.819 ( 0.000 1.349 -0.147) 1.357 10.077 ( 0.000 -0.086 0.623) 0.629 10.101 ( 0.000 0.326 -2.038) 2.064 10.345 ( 0.000 -7.619 7.237) 10.508 10.474 ( 0.000 -11.896 -4.009) 12.554 10.606 ( 0.000 -1.573 -0.334) 1.608 10.628 ( 0.000 -2.913 -1.671) 3.358 10.731 ( 0.000 -0.927 1.520) 1.781 10.748 ( 0.000 -1.687 -0.132) 1.692 12.391 ( 0.000 -1.264 0.364) 1.315 12.403 ( 0.000 -1.939 -0.707) 2.064 12.507 ( 0.000 -1.066 0.465) 1.163 12.514 ( 0.000 -1.171 -0.126) 1.178 ======================= Grid point 190 (72/80) ======================= q-point: ( 0.12 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 0.970 14.677 0.850) 14.733 2.785 ( 1.434 16.651 -0.025) 16.712 2.960 ( 0.201 5.350 5.804) 7.896 3.042 ( -3.012 15.405 -1.487) 15.767 3.136 ( -2.420 13.892 2.179) 14.268 3.241 ( -1.970 4.811 -7.192) 8.875 3.464 ( -0.683 -1.752 1.386) 2.336 3.502 ( -1.057 4.345 -1.559) 4.736 3.622 ( -3.878 0.537 0.453) 3.941 3.696 ( -6.885 -5.497 -5.473) 10.372 3.867 ( 1.234 1.076 4.754) 5.027 3.909 ( 1.893 0.968 0.826) 2.281 4.066 ( -3.243 -3.960 3.057) 5.961 4.178 ( 0.969 -5.700 -6.713) 8.859 4.427 ( 1.232 -2.972 3.427) 4.700 4.460 ( -0.101 -4.968 0.528) 4.997 4.749 ( -0.869 8.276 0.534) 8.338 4.770 ( -3.590 7.223 -1.633) 8.230 4.880 ( -11.117 -1.368 1.423) 11.290 4.892 ( -11.233 -3.571 -0.006) 11.787 5.214 ( -0.795 6.111 -0.029) 6.162 5.221 ( 2.229 4.585 -0.501) 5.123 5.258 ( 0.600 0.048 0.493) 0.778 5.304 ( 2.421 5.250 2.586) 6.334 5.312 ( -0.026 0.928 -4.090) 4.194 5.388 ( 2.310 3.867 -3.925) 5.975 5.500 ( -0.004 -1.202 2.521) 2.793 5.546 ( 1.192 -5.990 -1.661) 6.329 5.634 ( 1.899 -2.357 4.535) 5.453 5.702 ( 2.523 -0.821 0.547) 2.709 5.773 ( 6.542 -2.812 -0.309) 7.128 5.804 ( 2.946 -5.009 -1.011) 5.898 6.112 ( 2.729 -2.619 2.628) 4.606 6.156 ( 2.765 -2.475 -1.061) 3.860 6.223 ( 2.115 -6.463 -0.096) 6.801 6.237 ( 5.720 -5.328 -1.380) 7.938 6.802 ( 2.597 7.840 3.924) 9.143 6.906 ( 1.990 5.860 -5.034) 7.977 7.271 ( -2.180 -10.553 0.887) 10.812 7.279 ( -2.555 -8.997 0.132) 9.353 7.504 ( -6.685 3.958 1.538) 7.920 7.537 ( -6.637 3.189 -1.218) 7.463 7.670 ( -2.894 -5.182 0.847) 5.996 7.686 ( -3.008 -4.935 -0.468) 5.798 8.084 ( -0.069 4.301 0.269) 4.310 8.105 ( 0.290 4.567 -1.658) 4.867 8.227 ( 2.885 0.348 1.757) 3.396 8.271 ( 2.795 -0.545 -2.451) 3.757 8.441 ( 8.314 2.133 -0.024) 8.583 8.467 ( 7.766 0.784 -2.960) 8.348 8.712 ( 3.642 1.172 5.386) 6.607 8.809 ( 3.707 -1.751 -3.051) 5.111 8.900 ( 1.011 6.533 4.238) 7.852 9.000 ( -0.440 5.092 -4.733) 6.966 9.342 ( -1.271 -8.127 9.992) 12.942 9.508 ( -4.279 -10.143 -3.454) 11.537 9.669 ( -3.862 4.242 -1.976) 6.068 9.682 ( -2.666 2.213 -3.376) 4.838 9.805 ( -0.362 1.354 0.498) 1.487 9.818 ( -0.540 0.030 -0.467) 0.715 10.084 ( 0.812 -0.407 0.791) 1.205 10.111 ( 0.932 -0.167 -1.781) 2.018 10.309 ( -3.266 -7.337 6.281) 10.196 10.419 ( -4.813 -10.276 -3.217) 11.795 10.572 ( -2.569 -0.732 0.345) 2.694 10.609 ( -1.595 -2.433 -2.786) 4.028 10.736 ( -0.112 -2.875 1.917) 3.457 10.759 ( 0.228 -3.802 -0.332) 3.824 12.404 ( 1.235 -1.064 0.456) 1.693 12.417 ( 1.267 -1.758 -0.657) 2.264 12.512 ( 0.373 -0.998 0.310) 1.110 12.516 ( 0.197 -1.002 -0.097) 1.026 ======================= Grid point 191 (73/80) ======================= q-point: ( 0.25 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 0.938 12.940 -0.310) 12.978 2.811 ( 0.705 12.567 -1.796) 12.714 2.970 ( 0.250 4.173 4.032) 5.808 3.010 ( 1.062 11.799 2.204) 12.050 3.081 ( -2.426 13.351 3.398) 13.989 3.174 ( -4.383 3.415 -5.454) 7.785 3.374 ( -7.219 -4.904 1.975) 8.948 3.471 ( -5.133 -1.022 -4.468) 6.882 3.560 ( -1.550 4.814 -0.798) 5.120 3.582 ( -1.338 1.704 -2.837) 3.569 3.896 ( 0.728 1.544 6.285) 6.512 3.965 ( 3.955 5.681 0.373) 6.932 4.011 ( -1.992 0.923 3.026) 3.739 4.180 ( -1.317 -3.921 -9.446) 10.312 4.420 ( -2.314 -1.337 2.413) 3.601 4.438 ( -2.627 -1.138 1.244) 3.122 4.566 ( -10.562 -2.022 0.094) 10.754 4.580 ( -12.133 -2.951 -1.080) 12.534 4.744 ( -3.918 2.845 2.991) 5.691 4.789 ( -2.419 3.328 -0.765) 4.185 5.195 ( -1.177 4.094 1.392) 4.481 5.252 ( -0.162 -0.688 -3.995) 4.057 5.275 ( 1.466 1.591 1.497) 2.630 5.331 ( 1.813 2.950 -3.422) 4.868 5.368 ( 3.201 6.908 1.922) 7.853 5.423 ( 0.184 1.224 -1.834) 2.213 5.545 ( 4.692 2.450 4.675) 7.062 5.613 ( 3.560 -1.860 0.482) 4.046 5.670 ( 4.238 -5.148 -0.582) 6.693 5.701 ( -0.928 -4.415 -1.392) 4.722 5.878 ( 3.122 -3.840 0.812) 5.015 5.903 ( 5.292 -4.399 -1.248) 6.994 6.169 ( 2.824 -2.051 2.665) 4.392 6.219 ( 3.065 -0.978 -1.787) 3.681 6.291 ( 3.993 -2.971 2.761) 5.692 6.356 ( 4.505 -3.136 -2.690) 6.113 6.865 ( 3.314 4.698 3.221) 6.590 6.952 ( 2.184 3.286 -4.270) 5.814 7.198 ( -4.634 -6.993 0.545) 8.406 7.201 ( -4.773 -7.291 0.316) 8.720 7.392 ( -3.115 6.082 1.279) 6.952 7.420 ( -3.646 4.971 -1.121) 6.265 7.672 ( 3.082 -8.628 0.311) 9.167 7.678 ( 2.305 -8.297 -0.141) 8.612 8.034 ( -4.140 8.076 0.748) 9.106 8.059 ( -3.991 8.135 -1.329) 9.158 8.285 ( 1.694 -3.783 0.345) 4.159 8.314 ( 0.728 -4.219 -2.333) 4.876 8.612 ( 8.091 3.181 1.998) 8.921 8.659 ( 9.522 2.761 -2.436) 10.209 8.798 ( 4.479 -0.742 3.463) 5.709 8.880 ( 2.782 -0.380 -2.732) 3.918 8.937 ( 2.225 3.580 2.116) 4.716 8.995 ( 0.033 5.240 -2.361) 5.747 9.296 ( -4.059 -5.895 7.491) 10.360 9.403 ( -4.913 -6.743 -1.010) 8.404 9.573 ( -4.866 6.567 -0.785) 8.211 9.622 ( -3.025 1.208 -3.426) 4.727 9.799 ( -0.546 -1.626 -0.204) 1.727 9.803 ( -0.310 -0.178 -0.608) 0.705 10.110 ( 1.625 -1.238 1.022) 2.284 10.135 ( 1.328 -0.911 -0.884) 1.837 10.237 ( -3.130 -6.907 3.413) 8.316 10.313 ( -4.932 -7.900 -2.724) 9.703 10.523 ( -2.015 -1.262 1.082) 2.613 10.569 ( -2.196 -3.042 -3.005) 4.807 10.710 ( -2.478 -4.933 2.183) 5.937 10.737 ( -2.454 -5.968 -0.425) 6.466 12.437 ( 1.844 -0.665 0.546) 2.035 12.450 ( 1.786 -1.314 -0.561) 2.287 12.518 ( 0.192 -0.753 0.179) 0.797 12.522 ( 0.317 -0.793 -0.142) 0.866 ======================= Grid point 192 (74/80) ======================= q-point: ( 0.38 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 0.943 9.365 -1.435) 9.521 2.824 ( 1.262 6.742 -2.443) 7.281 2.966 ( -1.048 0.973 2.156) 2.587 3.041 ( 0.431 9.477 3.532) 10.123 3.050 ( -3.248 5.603 -0.446) 6.492 3.111 ( 2.319 8.860 1.342) 9.257 3.220 ( -6.714 -0.532 2.452) 7.168 3.339 ( -5.980 1.704 -5.260) 8.144 3.571 ( 2.232 5.844 1.260) 6.382 3.619 ( 4.262 3.300 -3.036) 6.186 3.830 ( -6.708 -0.337 6.644) 9.447 3.965 ( -5.795 4.707 -3.131) 8.095 4.065 ( 5.252 8.220 0.605) 9.774 4.136 ( -0.603 -0.850 -5.728) 5.822 4.324 ( -5.364 3.297 1.042) 6.382 4.331 ( -4.867 4.886 0.379) 6.907 4.460 ( -0.611 -4.235 0.525) 4.311 4.474 ( -0.635 -3.956 -0.425) 4.029 4.660 ( -3.858 -2.179 3.816) 5.848 4.713 ( -4.746 -0.672 -0.873) 4.872 5.179 ( -0.135 3.437 1.422) 3.722 5.228 ( -1.731 1.079 -2.564) 3.277 5.302 ( 1.020 -1.031 1.116) 1.830 5.348 ( -0.615 -0.498 -1.999) 2.150 5.408 ( 0.468 5.031 0.697) 5.100 5.424 ( 0.858 6.785 -1.029) 6.916 5.624 ( 1.748 -2.647 2.132) 3.822 5.666 ( 0.491 -4.110 -1.335) 4.349 5.721 ( 5.247 -0.621 2.766) 5.963 5.793 ( 4.907 -1.944 -3.669) 6.428 5.933 ( 2.709 -6.004 2.522) 7.054 5.977 ( 2.089 -6.110 -1.500) 6.629 6.234 ( 3.699 -0.279 2.281) 4.355 6.279 ( 2.813 -0.196 -1.454) 3.173 6.346 ( 0.886 0.783 1.614) 2.001 6.387 ( -1.441 -0.094 -1.721) 2.246 6.930 ( 3.173 0.090 2.120) 3.817 6.986 ( 1.245 -0.875 -2.755) 3.148 7.102 ( -4.376 -5.225 0.547) 6.837 7.107 ( -4.084 -6.345 0.352) 7.554 7.386 ( 1.714 8.665 0.437) 8.844 7.398 ( 0.862 7.677 -0.635) 7.751 7.756 ( 4.316 -9.354 -0.037) 10.302 7.765 ( 4.660 -9.835 -0.690) 10.905 7.955 ( -2.608 8.329 0.777) 8.762 7.976 ( -3.269 8.204 -0.976) 8.885 8.269 ( -2.871 -6.567 0.261) 7.172 8.283 ( -3.400 -6.391 -0.921) 7.298 8.775 ( 7.699 5.116 1.795) 9.416 8.820 ( 6.123 4.840 -2.217) 8.114 8.888 ( 4.088 -0.861 1.640) 4.488 8.942 ( 4.091 0.172 -2.157) 4.628 8.961 ( -0.038 3.826 1.657) 4.169 8.996 ( -0.041 4.962 -1.259) 5.119 9.168 ( -7.402 0.047 5.390) 9.157 9.287 ( -8.038 -3.856 -4.691) 10.074 9.519 ( 0.104 3.541 3.650) 5.086 9.573 ( -1.713 1.721 0.375) 2.457 9.790 ( 0.013 -2.196 -0.835) 2.349 9.804 ( -0.016 -2.402 -1.443) 2.802 10.143 ( 1.486 -1.944 0.712) 2.548 10.157 ( 0.778 -1.593 0.196) 1.784 10.202 ( -0.313 -7.110 -0.210) 7.120 10.238 ( -2.326 -7.302 -2.413) 8.035 10.497 ( -0.335 -2.628 1.335) 2.967 10.530 ( -1.428 -3.443 -1.512) 4.022 10.645 ( -3.367 -6.194 1.666) 7.244 10.668 ( -3.846 -6.926 -0.424) 7.933 12.474 ( 1.695 -0.391 0.427) 1.791 12.484 ( 1.499 -0.807 -0.463) 1.764 12.518 ( -0.231 -0.566 0.292) 0.678 12.524 ( -0.179 -0.706 -0.243) 0.768 ======================= Grid point 193 (75/80) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -1.175 5.245 -1.231) 5.514 2.835 ( 1.175 5.245 -1.231) 5.514 2.964 ( -2.642 0.585 -2.776) 3.877 2.964 ( 2.642 0.585 -2.776) 3.877 3.091 ( -3.629 8.374 6.845) 11.408 3.091 ( 3.629 8.374 6.845) 11.408 3.227 ( -5.242 5.945 -2.393) 8.279 3.227 ( 5.242 5.945 -2.393) 8.279 3.651 ( -4.875 3.181 2.244) 6.239 3.651 ( 4.875 3.181 2.244) 6.239 3.791 ( -7.675 1.544 -2.783) 8.308 3.791 ( 7.675 1.544 -2.783) 8.308 4.145 ( -1.359 5.387 -1.573) 5.774 4.145 ( 1.359 5.387 -1.573) 5.774 4.269 ( -0.256 8.788 0.984) 8.847 4.269 ( 0.256 8.788 0.984) 8.847 4.472 ( -0.562 -5.083 -0.755) 5.170 4.472 ( 0.562 -5.083 -0.755) 5.170 4.631 ( -2.002 -4.248 1.943) 5.082 4.631 ( 2.002 -4.248 1.943) 5.082 5.193 ( -1.427 3.115 0.118) 3.428 5.193 ( 1.427 3.115 0.118) 3.428 5.323 ( -1.219 -2.891 -1.091) 3.322 5.323 ( 1.219 -2.891 -1.091) 3.322 5.424 ( -0.743 7.448 0.441) 7.497 5.424 ( 0.743 7.448 0.441) 7.497 5.653 ( -1.187 -5.439 -0.689) 5.610 5.653 ( 1.187 -5.439 -0.689) 5.609 5.816 ( -2.458 -0.295 0.508) 2.527 5.816 ( 2.458 -0.295 0.508) 2.527 5.985 ( -1.505 -6.715 0.277) 6.887 5.985 ( 1.505 -6.715 0.277) 6.887 6.317 ( -3.679 1.148 0.353) 3.870 6.317 ( 3.679 1.148 0.353) 3.870 6.332 ( -1.643 1.124 -0.326) 2.018 6.332 ( 1.643 1.124 -0.326) 2.018 6.991 ( -2.031 -2.328 0.450) 3.122 6.991 ( 2.031 -2.328 0.450) 3.122 7.050 ( -0.694 -5.414 -0.185) 5.462 7.050 ( 0.694 -5.414 -0.185) 5.462 7.414 ( -0.220 9.549 -0.135) 9.553 7.414 ( 0.220 9.549 -0.135) 9.553 7.806 ( -0.520 -6.755 -1.483) 6.936 7.806 ( 0.520 -6.755 -1.483) 6.936 7.947 ( -0.629 4.569 1.037) 4.727 7.947 ( 0.629 4.569 1.037) 4.727 8.226 ( -0.461 -6.862 -0.256) 6.882 8.226 ( 0.461 -6.862 -0.256) 6.882 8.883 ( -1.416 5.312 0.402) 5.512 8.883 ( 1.416 5.312 0.402) 5.512 8.943 ( -0.916 1.062 -0.066) 1.404 8.943 ( 0.916 1.062 -0.066) 1.404 9.014 ( -3.829 3.570 2.373) 5.748 9.014 ( 3.829 3.570 2.373) 5.748 9.105 ( -7.751 0.607 -3.406) 8.488 9.105 ( 7.751 0.607 -3.406) 8.488 9.543 ( -1.515 1.534 3.460) 4.076 9.543 ( 1.515 1.534 3.460) 4.076 9.798 ( -0.533 -2.805 -1.719) 3.332 9.798 ( 0.533 -2.805 -1.719) 3.332 10.164 ( -0.341 -2.313 0.312) 2.359 10.164 ( 0.341 -2.313 0.312) 2.359 10.208 ( -0.817 -7.180 -1.839) 7.456 10.208 ( 0.817 -7.180 -1.839) 7.456 10.509 ( -1.062 -3.378 0.991) 3.677 10.509 ( 1.062 -3.378 0.991) 3.677 10.610 ( -0.875 -6.965 -0.051) 7.020 10.610 ( 0.875 -6.965 -0.051) 7.020 12.500 ( -0.579 -0.278 0.014) 0.642 12.500 ( 0.579 -0.278 0.014) 0.642 12.515 ( -0.489 -0.771 -0.010) 0.913 12.515 ( 0.489 -0.771 -0.010) 0.913 ======================= Grid point 198 (76/80) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 0.000 -3.470 4.792) 5.916 2.928 ( 0.000 3.470 4.792) 5.916 3.155 ( 0.000 -11.914 -3.816) 12.511 3.155 ( 0.000 11.914 -3.816) 12.511 3.325 ( 0.000 -3.383 -0.681) 3.451 3.325 ( 0.000 3.383 -0.681) 3.451 3.477 ( 0.000 -8.962 -2.068) 9.197 3.477 ( 0.000 8.962 -2.068) 9.197 3.713 ( 0.000 -0.716 1.350) 1.528 3.713 ( 0.000 0.716 1.350) 1.528 3.895 ( 0.000 -2.116 1.992) 2.906 3.895 ( 0.000 2.116 1.992) 2.906 4.016 ( 0.000 -0.592 -2.857) 2.918 4.016 ( 0.000 0.592 -2.857) 2.918 4.373 ( 0.000 -1.283 1.790) 2.202 4.373 ( 0.000 1.283 1.790) 2.202 4.881 ( 0.000 -1.293 -0.047) 1.294 4.881 ( 0.000 1.293 -0.047) 1.294 4.995 ( 0.000 -0.524 -0.206) 0.563 4.995 ( 0.000 0.524 -0.206) 0.563 5.233 ( 0.000 -0.530 3.140) 3.184 5.233 ( 0.000 0.530 3.140) 3.184 5.325 ( 0.000 -1.203 -4.853) 5.000 5.325 ( 0.000 1.203 -4.853) 5.000 5.415 ( 0.000 -2.645 -0.893) 2.792 5.415 ( 0.000 2.645 -0.893) 2.792 5.419 ( 0.000 -3.540 -0.997) 3.677 5.419 ( 0.000 3.540 -0.997) 3.677 5.640 ( 0.000 -4.330 1.883) 4.721 5.640 ( 0.000 4.330 1.883) 4.721 5.681 ( 0.000 -2.716 2.757) 3.870 5.681 ( 0.000 2.716 2.757) 3.870 6.094 ( 0.000 -3.293 -0.211) 3.299 6.094 ( 0.000 3.293 -0.211) 3.300 6.103 ( 0.000 -1.139 -0.690) 1.331 6.103 ( 0.000 1.139 -0.690) 1.331 6.964 ( 0.000 -6.242 -0.878) 6.304 6.964 ( 0.000 6.242 -0.878) 6.304 7.127 ( 0.000 -3.547 0.699) 3.615 7.127 ( 0.000 3.547 0.699) 3.615 7.650 ( 0.000 -2.318 0.520) 2.375 7.650 ( 0.000 2.318 0.520) 2.375 7.689 ( 0.000 -1.850 0.079) 1.852 7.689 ( 0.000 1.850 0.079) 1.852 8.077 ( 0.000 -0.491 -1.244) 1.338 8.077 ( 0.000 0.491 -1.244) 1.338 8.233 ( 0.000 -0.531 1.002) 1.134 8.233 ( 0.000 0.531 1.002) 1.134 8.390 ( 0.000 -0.685 -3.024) 3.101 8.390 ( 0.000 0.685 -3.024) 3.101 8.721 ( 0.000 -2.761 2.064) 3.447 8.721 ( 0.000 2.761 2.064) 3.447 9.032 ( 0.000 -5.234 2.876) 5.972 9.032 ( 0.000 5.234 2.876) 5.972 9.329 ( 0.000 -7.725 -1.896) 7.955 9.329 ( 0.000 7.726 -1.896) 7.955 9.742 ( 0.000 -0.202 -1.847) 1.858 9.742 ( 0.000 0.202 -1.847) 1.858 9.835 ( 0.000 -0.124 0.582) 0.595 9.835 ( 0.000 0.124 0.582) 0.595 10.102 ( 0.000 -1.640 0.904) 1.872 10.102 ( 0.000 1.640 0.904) 1.872 10.292 ( 0.000 -4.442 0.729) 4.501 10.292 ( 0.000 4.442 0.729) 4.501 10.599 ( 0.000 -0.465 -1.557) 1.625 10.599 ( 0.000 0.465 -1.557) 1.625 10.728 ( 0.000 -0.462 0.759) 0.889 10.728 ( 0.000 0.462 0.759) 0.889 12.381 ( 0.000 -0.316 -0.181) 0.364 12.381 ( 0.000 0.316 -0.181) 0.364 12.499 ( 0.000 -0.246 0.170) 0.299 12.499 ( 0.000 0.246 0.170) 0.299 ======================= Grid point 200 (77/80) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 1.044 -3.673 4.759) 6.101 2.941 ( 1.044 3.673 4.759) 6.101 3.114 ( -3.321 -9.059 -4.465) 10.631 3.114 ( -3.321 9.059 -4.465) 10.631 3.319 ( -1.644 -5.223 1.221) 5.610 3.319 ( -1.644 5.223 1.221) 5.610 3.425 ( -4.204 -10.996 -2.890) 12.121 3.425 ( -4.204 10.996 -2.890) 12.121 3.662 ( -3.287 -1.068 1.270) 3.682 3.662 ( -3.287 1.068 1.270) 3.682 3.924 ( 2.517 -3.526 2.742) 5.127 3.924 ( 2.517 3.526 2.742) 5.127 4.037 ( 1.381 -5.404 -4.151) 6.953 4.037 ( 1.381 5.404 -4.151) 6.953 4.396 ( 1.514 -0.818 1.854) 2.530 4.396 ( 1.514 0.818 1.854) 2.530 4.813 ( -11.548 -0.303 -0.804) 11.580 4.813 ( -11.548 0.303 -0.804) 11.580 4.883 ( -3.754 -0.820 0.762) 3.917 4.883 ( -3.754 0.820 0.762) 3.917 5.239 ( 0.433 -1.054 2.262) 2.533 5.239 ( 0.433 1.054 2.262) 2.533 5.314 ( -0.866 -3.498 -3.246) 4.850 5.314 ( -0.866 3.498 -3.246) 4.850 5.411 ( 1.254 -0.627 -0.497) 1.488 5.411 ( 1.254 0.627 -0.497) 1.488 5.465 ( 4.293 -0.743 -1.161) 4.509 5.465 ( 4.293 0.743 -1.161) 4.509 5.661 ( -1.583 -3.654 2.804) 4.870 5.661 ( -1.583 3.654 2.804) 4.870 5.749 ( 6.715 -1.595 0.368) 6.912 5.749 ( 6.715 1.595 0.368) 6.912 6.120 ( 2.274 -3.027 0.817) 3.873 6.120 ( 2.274 3.027 0.817) 3.873 6.163 ( 5.813 -2.154 -1.319) 6.338 6.163 ( 5.813 2.154 -1.319) 6.338 6.975 ( 0.743 -5.795 -0.814) 5.899 6.975 ( 0.743 5.795 -0.814) 5.899 7.126 ( -0.257 -3.075 0.629) 3.149 7.126 ( -0.257 3.075 0.629) 3.149 7.578 ( -5.082 -2.871 0.597) 5.868 7.578 ( -5.082 2.871 0.597) 5.868 7.609 ( -5.608 -2.469 -0.239) 6.132 7.609 ( -5.608 2.469 -0.239) 6.132 8.141 ( 4.371 -1.084 -0.825) 4.578 8.141 ( 4.371 1.085 -0.825) 4.578 8.244 ( -0.906 -1.693 -0.123) 1.924 8.244 ( -0.906 1.693 -0.123) 1.924 8.472 ( 8.239 -0.676 -1.284) 8.366 8.472 ( 8.239 0.676 -1.284) 8.366 8.752 ( 2.842 -2.994 0.680) 4.184 8.752 ( 2.842 2.994 0.680) 4.184 9.029 ( -0.081 -4.756 3.264) 5.769 9.029 ( -0.081 4.756 3.264) 5.769 9.310 ( -1.775 -6.975 -1.421) 7.336 9.310 ( -1.775 6.975 -1.421) 7.336 9.723 ( -1.779 -0.276 -1.897) 2.616 9.723 ( -1.779 0.276 -1.897) 2.616 9.813 ( -2.052 -0.264 0.561) 2.144 9.813 ( -2.052 0.264 0.561) 2.144 10.104 ( 0.249 -1.713 0.837) 1.922 10.104 ( 0.249 1.713 0.837) 1.922 10.260 ( -2.831 -4.089 0.574) 5.006 10.260 ( -2.831 4.089 0.574) 5.006 10.577 ( -1.989 -1.046 -1.610) 2.764 10.577 ( -1.989 1.046 -1.610) 2.764 10.715 ( -1.386 -0.676 0.859) 1.765 10.715 ( -1.386 0.676 0.859) 1.765 12.396 ( 1.428 -0.329 -0.096) 1.469 12.396 ( 1.428 0.329 -0.096) 1.469 12.504 ( 0.396 -0.188 0.095) 0.448 12.504 ( 0.396 0.188 0.095) 0.448 ======================= Grid point 202 (78/80) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( -0.469 -4.835 2.994) 5.706 2.953 ( -0.469 4.835 2.994) 5.706 3.046 ( -3.067 -7.672 -4.666) 9.489 3.046 ( -3.067 7.672 -4.666) 9.489 3.244 ( -4.463 -4.989 4.018) 7.807 3.244 ( -4.463 4.989 4.018) 7.807 3.345 ( -3.468 -10.169 -2.155) 10.958 3.345 ( -3.468 10.169 -2.155) 10.958 3.624 ( -0.287 -1.161 1.694) 2.073 3.624 ( -0.287 1.161 1.694) 2.073 3.986 ( 1.539 -5.711 -0.204) 5.918 3.986 ( 1.539 5.711 -0.204) 5.918 4.055 ( 1.921 -5.238 -4.164) 6.962 4.055 ( 1.921 5.238 -4.164) 6.962 4.411 ( -0.090 -0.668 2.212) 2.312 4.411 ( -0.090 0.668 2.212) 2.312 4.538 ( -12.515 -0.289 -0.047) 12.519 4.538 ( -12.515 0.289 -0.047) 12.519 4.805 ( -5.179 -1.912 0.746) 5.571 4.805 ( -5.179 1.912 0.746) 5.571 5.237 ( -0.576 -0.261 -0.638) 0.898 5.237 ( -0.576 0.261 -0.638) 0.898 5.311 ( 0.116 -3.433 0.900) 3.551 5.311 ( 0.116 3.433 0.900) 3.551 5.455 ( 2.628 -1.511 -1.533) 3.397 5.455 ( 2.628 1.511 -1.533) 3.397 5.579 ( 4.809 -1.513 -0.381) 5.056 5.579 ( 4.809 1.513 -0.381) 5.056 5.634 ( 0.945 -2.940 1.793) 3.571 5.634 ( 0.945 2.940 1.793) 3.571 5.848 ( 2.958 -1.054 -0.832) 3.249 5.848 ( 2.958 1.054 -0.832) 3.249 6.182 ( 3.673 -2.467 1.846) 4.795 6.182 ( 3.673 2.467 1.846) 4.795 6.300 ( 6.307 -2.679 -1.367) 6.988 6.300 ( 6.307 2.679 -1.368) 6.988 6.977 ( -0.790 -4.289 -0.590) 4.400 6.977 ( -0.790 4.289 -0.590) 4.401 7.104 ( -2.205 -1.797 0.467) 2.882 7.104 ( -2.205 1.797 0.467) 2.882 7.513 ( -0.511 -3.575 0.079) 3.613 7.513 ( -0.511 3.575 0.079) 3.613 7.539 ( -0.244 -3.068 0.083) 3.079 7.539 ( -0.244 3.068 0.083) 3.079 8.176 ( -2.982 -5.452 0.106) 6.215 8.176 ( -2.982 5.452 0.106) 6.215 8.208 ( -0.676 -5.501 -1.338) 5.702 8.208 ( -0.676 5.501 -1.338) 5.702 8.670 ( 9.920 -2.015 1.220) 10.196 8.670 ( 9.920 2.015 1.220) 10.196 8.823 ( 3.818 -3.300 -2.484) 5.624 8.823 ( 3.818 3.300 -2.484) 5.624 9.038 ( 0.998 -3.723 3.749) 5.377 9.038 ( 0.998 3.723 3.749) 5.377 9.257 ( -3.387 -5.103 -0.453) 6.142 9.257 ( -3.387 5.103 -0.453) 6.142 9.677 ( -2.341 -1.667 -1.616) 3.297 9.677 ( -2.341 1.667 -1.616) 3.297 9.761 ( -2.794 -1.422 0.444) 3.166 9.761 ( -2.794 1.422 0.444) 3.166 10.114 ( 0.734 -1.626 0.714) 1.921 10.114 ( 0.734 1.626 0.714) 1.921 10.198 ( -2.816 -3.310 -0.103) 4.347 10.198 ( -2.816 3.310 -0.103) 4.347 10.528 ( -2.563 -1.453 -1.490) 3.302 10.528 ( -2.563 1.453 -1.490) 3.302 10.666 ( -3.457 -0.864 1.036) 3.711 10.666 ( -3.457 0.864 1.036) 3.711 12.433 ( 2.040 -0.339 0.035) 2.068 12.433 ( 2.040 0.339 0.035) 2.068 12.512 ( 0.359 -0.141 -0.027) 0.387 12.512 ( 0.359 0.141 -0.027) 0.387 ======================= Grid point 204 (79/80) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( -1.334 -3.561 -1.083) 3.954 2.926 ( -1.334 3.561 -1.083) 3.954 2.981 ( -3.486 -6.107 -3.954) 8.067 2.981 ( -3.486 6.107 -3.954) 8.067 3.196 ( 0.208 -1.268 6.940) 7.058 3.196 ( 0.208 1.268 6.940) 7.058 3.285 ( -2.610 -7.422 1.396) 7.991 3.285 ( -2.610 7.422 1.396) 7.991 3.649 ( 2.872 -1.388 0.120) 3.192 3.649 ( 2.872 1.388 0.120) 3.192 3.902 ( -7.616 -7.208 -5.305) 11.752 3.902 ( -7.616 7.208 -5.305) 11.752 4.169 ( 6.799 -0.728 -1.549) 7.012 4.169 ( 6.799 0.728 -1.549) 7.012 4.354 ( -5.478 -1.299 -0.228) 5.635 4.354 ( -5.478 1.299 -0.228) 5.635 4.418 ( 1.496 -2.630 2.818) 4.134 4.418 ( 1.496 2.630 2.818) 4.134 4.671 ( -7.788 -2.917 1.475) 8.446 4.671 ( -7.788 2.917 1.475) 8.446 5.232 ( 0.365 -1.297 -0.961) 1.655 5.232 ( 0.365 1.297 -0.961) 1.655 5.295 ( -1.699 -2.203 0.991) 2.953 5.295 ( -1.699 2.203 0.991) 2.953 5.507 ( 2.309 -1.845 -0.907) 3.091 5.507 ( 2.308 1.845 -0.907) 3.091 5.577 ( -1.426 -2.165 0.070) 2.593 5.577 ( -1.426 2.165 0.070) 2.593 5.759 ( 6.915 -2.884 0.626) 7.519 5.759 ( 6.915 2.884 0.626) 7.519 5.882 ( 0.510 -2.364 -0.898) 2.579 5.882 ( 0.510 2.364 -0.898) 2.579 6.264 ( 4.270 -1.851 1.529) 4.899 6.264 ( 4.270 1.851 1.529) 4.899 6.378 ( 0.954 -1.420 -0.942) 1.953 6.378 ( 0.954 1.420 -0.942) 1.953 6.960 ( -0.180 -2.287 -0.163) 2.300 6.960 ( -0.180 2.287 -0.163) 2.300 7.042 ( -3.428 -0.598 0.233) 3.488 7.042 ( -3.428 0.598 0.233) 3.488 7.551 ( 3.520 -0.171 -0.585) 3.572 7.551 ( 3.520 0.171 -0.585) 3.572 7.586 ( 3.385 -0.370 0.356) 3.424 7.586 ( 3.385 0.370 0.356) 3.424 8.098 ( -3.229 -2.302 -0.959) 4.080 8.098 ( -3.229 2.302 -0.959) 4.080 8.163 ( -3.861 -2.102 0.369) 4.411 8.163 ( -3.861 2.102 0.369) 4.411 8.847 ( 7.119 -2.329 1.247) 7.593 8.847 ( 7.119 2.329 1.247) 7.593 8.902 ( 3.876 -2.741 -2.657) 5.440 8.902 ( 3.876 2.741 -2.657) 5.440 9.054 ( 0.315 -2.714 3.170) 4.185 9.054 ( 0.315 2.714 3.170) 4.185 9.177 ( -4.481 -4.649 -0.535) 6.479 9.177 ( -4.481 4.649 -0.535) 6.479 9.644 ( -0.523 -4.519 -0.382) 4.565 9.644 ( -0.523 4.519 -0.382) 4.565 9.706 ( -2.556 -3.710 0.310) 4.516 9.706 ( -2.556 3.710 0.310) 4.516 10.130 ( 0.765 -0.924 0.283) 1.232 10.130 ( 0.765 0.924 0.283) 1.232 10.158 ( -1.043 -1.711 -1.058) 2.265 10.158 ( -1.043 1.711 -1.058) 2.265 10.489 ( -0.831 -1.269 -0.767) 1.700 10.489 ( -0.831 1.269 -0.767) 1.700 10.582 ( -4.382 -0.898 0.980) 4.579 10.582 ( -4.382 0.898 0.980) 4.579 12.473 ( 1.782 -0.301 0.062) 1.809 12.473 ( 1.782 0.301 0.062) 1.809 12.515 ( -0.204 -0.209 -0.057) 0.298 12.515 ( -0.204 0.209 -0.057) 0.298 ======================= Grid point 206 (80/80) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -1.340 -3.666 -2.927) 4.879 2.925 ( 1.147 -3.650 -2.927) 4.817 2.925 ( -1.147 3.650 -2.927) 4.817 2.925 ( 1.340 3.666 -2.927) 4.879 3.231 ( -2.542 -4.576 5.631) 7.688 3.231 ( 2.499 -4.570 5.631) 7.671 3.231 ( -2.499 4.570 5.631) 7.671 3.231 ( 2.542 4.576 5.631) 7.688 3.746 ( -6.309 -4.938 -3.313) 8.669 3.746 ( 2.282 -3.967 -3.313) 5.649 3.746 ( -2.282 3.967 -3.313) 5.649 3.746 ( 6.309 4.938 -3.313) 8.669 4.274 ( -0.995 -6.784 -1.890) 7.113 4.274 ( -0.735 -6.776 -1.890) 7.073 4.274 ( 0.735 6.776 -1.890) 7.073 4.274 ( 0.995 6.784 -1.890) 7.113 4.509 ( -5.122 -7.171 2.894) 9.275 4.509 ( -0.419 -6.702 2.894) 7.312 4.509 ( 0.419 6.702 2.894) 7.312 4.509 ( 5.122 7.171 2.894) 9.275 5.255 ( -1.179 -3.182 -0.138) 3.396 5.255 ( 0.364 -3.132 -0.138) 3.156 5.255 ( -0.364 3.132 -0.138) 3.156 5.255 ( 1.179 3.182 -0.138) 3.396 5.546 ( -0.920 -5.074 -0.483) 5.179 5.546 ( 0.502 -5.059 -0.483) 5.107 5.546 ( -0.502 5.059 -0.483) 5.107 5.546 ( 0.920 5.074 -0.483) 5.179 5.861 ( -2.203 -5.008 0.177) 5.474 5.861 ( 1.194 -4.922 0.177) 5.068 5.861 ( -1.194 4.922 0.177) 5.068 5.861 ( 2.203 5.008 0.177) 5.474 6.347 ( -3.423 -0.549 0.122) 3.469 6.347 ( -3.361 0.444 0.122) 3.392 6.347 ( 3.361 -0.443 0.122) 3.392 6.347 ( 3.423 0.549 0.122) 3.469 6.982 ( -1.857 -1.385 0.067) 2.318 6.982 ( -0.522 -1.061 0.067) 1.184 6.982 ( 0.522 1.061 0.067) 1.184 6.982 ( 1.857 1.385 0.067) 2.318 7.614 ( -0.277 -10.548 -0.352) 10.557 7.614 ( 0.088 -10.547 -0.352) 10.553 7.614 ( -0.088 10.547 -0.352) 10.553 7.614 ( 0.278 10.548 -0.352) 10.557 8.086 ( -0.949 -7.380 -0.040) 7.440 8.086 ( 0.200 -7.365 -0.040) 7.368 8.086 ( -0.200 7.365 -0.040) 7.368 8.086 ( 0.949 7.380 -0.040) 7.441 8.941 ( -1.562 -1.255 -0.070) 2.005 8.941 ( 0.926 -1.086 -0.070) 1.429 8.941 ( -0.926 1.086 -0.070) 1.429 8.941 ( 1.562 1.255 -0.070) 2.005 9.085 ( -3.549 -2.839 0.457) 4.568 9.085 ( 1.071 -2.280 0.457) 2.560 9.085 ( -1.071 2.280 0.457) 2.560 9.085 ( 3.549 2.839 0.457) 4.568 9.660 ( -1.162 -9.049 0.305) 9.128 9.660 ( 0.923 -9.042 0.305) 9.094 9.660 ( -0.923 9.042 0.305) 9.094 9.660 ( 1.162 9.049 0.305) 9.128 10.144 ( -0.417 -0.706 -0.814) 1.156 10.144 ( 0.006 -0.675 -0.814) 1.057 10.144 ( -0.006 0.675 -0.814) 1.057 10.144 ( 0.417 0.706 -0.814) 1.156 10.507 ( -1.611 -2.881 0.351) 3.319 10.507 ( -0.294 -2.770 0.351) 2.808 10.507 ( 0.294 2.770 0.351) 2.808 10.507 ( 1.611 2.881 0.351) 3.319 12.502 ( -0.927 -0.398 0.001) 1.009 12.502 ( -0.593 -0.176 0.001) 0.618 12.502 ( 0.593 0.177 0.001) 0.618 12.502 ( 0.927 0.398 0.001) 1.009 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/24192 10.0 605.060 804.875 682.182 0.000 0.000 -0.000 3/24192 20.0 304.724 323.707 218.777 0.000 0.000 -0.000 3/24192 30.0 123.333 153.742 71.801 0.000 0.000 -0.000 3/24192 40.0 58.654 83.326 31.388 0.000 0.000 -0.000 3/24192 50.0 33.428 51.642 17.324 0.000 0.000 -0.000 3/24192 60.0 21.819 35.533 11.170 0.000 0.000 -0.000 3/24192 70.0 15.654 26.380 7.978 0.000 0.000 -0.000 3/24192 80.0 12.001 20.698 6.111 0.000 0.000 -0.000 3/24192 90.0 9.651 16.920 4.917 0.000 0.000 -0.000 3/24192 100.0 8.042 14.266 4.103 0.000 0.000 -0.000 3/24192 110.0 6.883 12.319 3.517 0.000 0.000 -0.000 3/24192 120.0 6.015 10.838 3.079 0.000 0.000 -0.000 3/24192 130.0 5.343 9.678 2.739 0.000 0.000 -0.000 3/24192 140.0 4.809 8.747 2.469 0.000 0.000 -0.000 3/24192 150.0 4.375 7.984 2.250 0.000 0.000 -0.000 3/24192 160.0 4.015 7.348 2.068 0.000 0.000 -0.000 3/24192 170.0 3.712 6.809 1.914 0.000 0.000 -0.000 3/24192 180.0 3.454 6.347 1.783 0.000 0.000 -0.000 3/24192 190.0 3.231 5.946 1.669 0.000 0.000 -0.000 3/24192 200.0 3.036 5.595 1.570 0.000 0.000 -0.000 3/24192 210.0 2.864 5.285 1.482 0.000 0.000 -0.000 3/24192 220.0 2.712 5.008 1.404 0.000 0.000 -0.000 3/24192 230.0 2.575 4.760 1.335 0.000 0.000 -0.000 3/24192 240.0 2.453 4.537 1.272 0.000 0.000 -0.000 3/24192 250.0 2.342 4.334 1.215 0.000 0.000 -0.000 3/24192 260.0 2.241 4.150 1.163 0.000 0.000 -0.000 3/24192 270.0 2.148 3.981 1.115 0.000 0.000 -0.000 3/24192 280.0 2.063 3.825 1.072 0.000 0.000 -0.000 3/24192 290.0 1.985 3.682 1.032 0.000 0.000 -0.000 3/24192 300.0 1.913 3.549 0.994 0.000 0.000 -0.000 3/24192 310.0 1.846 3.426 0.960 0.000 0.000 -0.000 3/24192 320.0 1.784 3.312 0.928 0.000 0.000 -0.000 3/24192 330.0 1.726 3.205 0.898 0.000 0.000 -0.000 3/24192 340.0 1.671 3.104 0.870 0.000 0.000 -0.000 3/24192 350.0 1.620 3.011 0.843 0.000 0.000 -0.000 3/24192 360.0 1.573 2.922 0.819 0.000 0.000 -0.000 3/24192 370.0 1.528 2.839 0.795 0.000 0.000 -0.000 3/24192 380.0 1.485 2.761 0.773 0.000 0.000 -0.000 3/24192 390.0 1.445 2.687 0.753 0.000 0.000 -0.000 3/24192 400.0 1.407 2.617 0.733 0.000 0.000 -0.000 3/24192 410.0 1.371 2.550 0.714 0.000 0.000 -0.000 3/24192 420.0 1.337 2.487 0.697 0.000 0.000 -0.000 3/24192 430.0 1.305 2.427 0.680 0.000 0.000 -0.000 3/24192 440.0 1.274 2.370 0.664 0.000 0.000 -0.000 3/24192 450.0 1.244 2.315 0.648 0.000 0.000 -0.000 3/24192 460.0 1.216 2.263 0.634 0.000 0.000 -0.000 3/24192 470.0 1.189 2.214 0.620 0.000 0.000 -0.000 3/24192 480.0 1.164 2.166 0.607 0.000 0.000 -0.000 3/24192 490.0 1.139 2.121 0.594 0.000 0.000 -0.000 3/24192 500.0 1.116 2.077 0.582 0.000 0.000 -0.000 3/24192 510.0 1.093 2.035 0.570 0.000 0.000 -0.000 3/24192 520.0 1.072 1.995 0.559 0.000 0.000 -0.000 3/24192 530.0 1.051 1.956 0.548 0.000 0.000 -0.000 3/24192 540.0 1.031 1.919 0.538 0.000 0.000 -0.000 3/24192 550.0 1.012 1.884 0.528 0.000 0.000 -0.000 3/24192 560.0 0.993 1.849 0.518 0.000 0.000 -0.000 3/24192 570.0 0.975 1.816 0.509 0.000 0.000 -0.000 3/24192 580.0 0.958 1.784 0.500 0.000 0.000 -0.000 3/24192 590.0 0.941 1.753 0.491 0.000 0.000 -0.000 3/24192 600.0 0.925 1.724 0.483 0.000 0.000 -0.000 3/24192 610.0 0.910 1.695 0.475 0.000 0.000 -0.000 3/24192 620.0 0.895 1.667 0.467 0.000 0.000 -0.000 3/24192 630.0 0.880 1.640 0.459 0.000 0.000 -0.000 3/24192 640.0 0.866 1.614 0.452 0.000 0.000 -0.000 3/24192 650.0 0.853 1.589 0.445 0.000 0.000 -0.000 3/24192 660.0 0.840 1.564 0.438 0.000 0.000 -0.000 3/24192 670.0 0.827 1.541 0.431 0.000 0.000 -0.000 3/24192 680.0 0.815 1.518 0.425 0.000 0.000 -0.000 3/24192 690.0 0.803 1.495 0.419 0.000 0.000 -0.000 3/24192 700.0 0.791 1.474 0.413 0.000 0.000 -0.000 3/24192 710.0 0.780 1.453 0.407 0.000 0.000 -0.000 3/24192 720.0 0.769 1.432 0.401 0.000 0.000 -0.000 3/24192 730.0 0.758 1.413 0.396 0.000 0.000 -0.000 3/24192 740.0 0.748 1.393 0.390 0.000 0.000 -0.000 3/24192 750.0 0.737 1.374 0.385 0.000 0.000 -0.000 3/24192 760.0 0.728 1.356 0.380 0.000 0.000 -0.000 3/24192 770.0 0.718 1.338 0.375 0.000 0.000 -0.000 3/24192 780.0 0.709 1.321 0.370 0.000 0.000 -0.000 3/24192 790.0 0.700 1.304 0.365 0.000 0.000 -0.000 3/24192 800.0 0.691 1.288 0.361 0.000 0.000 -0.000 3/24192 810.0 0.682 1.272 0.356 0.000 0.000 -0.000 3/24192 820.0 0.674 1.256 0.352 0.000 0.000 -0.000 3/24192 830.0 0.666 1.241 0.347 0.000 0.000 -0.000 3/24192 840.0 0.658 1.226 0.343 0.000 0.000 -0.000 3/24192 850.0 0.650 1.211 0.339 0.000 0.000 -0.000 3/24192 860.0 0.642 1.197 0.335 0.000 0.000 -0.000 3/24192 870.0 0.635 1.183 0.331 0.000 0.000 -0.000 3/24192 880.0 0.627 1.170 0.327 0.000 0.000 -0.000 3/24192 890.0 0.620 1.156 0.324 0.000 0.000 -0.000 3/24192 900.0 0.613 1.143 0.320 0.000 0.000 -0.000 3/24192 910.0 0.607 1.131 0.317 0.000 0.000 -0.000 3/24192 920.0 0.600 1.118 0.313 0.000 0.000 -0.000 3/24192 930.0 0.593 1.106 0.310 0.000 0.000 -0.000 3/24192 940.0 0.587 1.094 0.306 0.000 0.000 -0.000 3/24192 950.0 0.581 1.083 0.303 0.000 0.000 -0.000 3/24192 960.0 0.575 1.071 0.300 0.000 0.000 -0.000 3/24192 970.0 0.569 1.060 0.297 0.000 0.000 -0.000 3/24192 980.0 0.563 1.049 0.294 0.000 0.000 -0.000 3/24192 990.0 0.557 1.039 0.291 0.000 0.000 -0.000 3/24192 1000.0 0.552 1.028 0.288 0.000 0.000 -0.000 3/24192 Thermal conductivity related properties were written into "kappa-m8143.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:43:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|